SCHEMBL4594809

SCHEMBL4594809

CCCCC(N=C=S)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.69
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.39
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR2A P28223 3/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH1 P35367 2/20 0.33
LMNA P02545 1/20 0.33
AOC3 Q16853 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7808 0.95 MIF (0.67) MIFALDH1A1KDM4EPOLBNOS3
SCHEMBL17274465 0.93 MIF (0.65) MIFALDH1A1KDM4ECNR2SIGMAR1
SCHEMBL1526826 0.89 MIF (0.73) MIFALDH1A1KDM4EPOLBNOS3
SCHEMBL28806778 0.83 MIF (0.46) MIFALDH1A1KDM4EPOLBNOS3
SCHEMBL3915370 0.82 MIF (1.00) MIFALDH1A1POLBNOS3NOS2
SCHEMBL8101646 0.81 MIF (0.57) MIFALDH1A1
SCHEMBL8101546 0.79 MIF (0.54) MIF
SCHEMBL28071932 0.79 MIF (0.62) MIFALDH1A1NOS3NOS2HRH1
SCHEMBL28071930 0.79 MIF (0.62) MIFALDH1A1NOS3NOS2HRH1
SCHEMBL920068 0.78 MIF (0.43) MIFALDH1A1KDM4EPOLBNOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466789-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use THE WILLIAM YARBROUGH FOUNDATION (US) 2025-11-11 US disclosed
US-20250161258-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE THE WILLIAM M YARBROUGH FOUND (US) 2025-05-22 US disclosed
US-20240279169-A9 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE THE WILLIAM M YARBROUGH FOUND (US) 2024-08-22 US disclosed
US-20230321027-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE THE WILLIAM M YARBROUGH FOUNDATION 2023-10-12 US disclosed
US-11654129-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use THE WILLIAM M YARBROUGH FOUNDATION (US) 2023-05-23 US disclosed
US-20230110036-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE THE WILLIAM M YARBROUGH FOUND (US) 2023-04-13 US disclosed
US-20220388954-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE WILLIAM M. YARBROUGH FOUNDATION 2022-12-08 US disclosed
US-11407713-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2022-08-09 US disclosed
US-11339125-B2 Use of isothiocyanate functional surfactants as NRF2 inducers to treat epidermolysis bullosa simplex and related diseases THE WILLIAM M. YARBROUGH FOUNDATION (US) 2022-05-24 US disclosed
US-11306057-B2 Isothiocyanate functional surfactants, formulations incorporating isothiocyanate functional surfactants and associated methods for treating biofilms THE WILLIAM M. YARBROUGH FOUNDATION (US) 2022-04-19 US disclosed
US-20170065548-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE THE WILLIAM M. YARBROUGH FOUNDATION 2017-03-09 US disclosed
CN-100439332-C Novel thiourea derivatives and the pharmaceutical compositions containing thd same PACFIC CORP (KR) 2008-12-03 CN disclosed
EP-1910280-A2 PROCESS OF SULFONATING 4-AMINOBENZONITRILES SCHWARZ PHARMA AG (DE) 2008-04-16 EP disclosed
WO-2007009798-A2 PROCESS OF SULFONATING 4-AMINOBENZONITRILES SCHWARZ PHARMA AG (DE) 2007-01-25 WO disclosed
CN-1705642-A Novel N-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same DIGITAL BIOTECH CO LTD (KR) 2005-12-07 CN disclosed
CN-1418191-A Novel thiourea derivatives and pharmaceutical compositions containing the same PACFIC CORP (KR) 2003-05-14 CN disclosed
US-5231209-A Phenylhexyl isothiocyanate AMERICAN HEALTH FOUNDATION (US) 1993-07-27 US disclosed
US-5231209-A Phenylhexyl isothiocyanate AMERICAN HEALTH FOUNDATION (US) 1993-07-27 US disclosed
US-5114969-A Method of inhibiting lung tumors, arylalkyl isothiocyanates, and method of synthesizing same AMERICAN HEALTH FOUNDATION (US) 1992-05-19 US disclosed
US-5114969-A Method of inhibiting lung tumors, arylalkyl isothiocyanates, and method of synthesizing same AMERICAN HEALTH FOUNDATION (US) 1992-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230110036-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE F12, MSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MIF 2036/4885ALDH1A1 1104/4885KDM4E 4382/4885
US-11339125-B2 Use of isothiocyanate functional surfactants as NRF2 inducers to treat epidermolysis bullosa simplex and related diseases KEAP1, GSTK1, KRT18 MIF 4708/4885ALDH1A1 3703/4885KDM4E 4248/4885
US-12466789-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use F12, MSR1, TST MIF 1902/4885ALDH1A1 1211/4885KDM4E 4446/4885
US-20250161258-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE TST, TMSB10, NHERF1 MIF 2371/4885ALDH1A1 3056/4885KDM4E 3274/4885
US-20240279169-A9 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE F12, MSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MIF 2036/4885ALDH1A1 1104/4885KDM4E 4382/4885
US-20220388954-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE F12, MSR1, TST MIF 1902/4885ALDH1A1 1211/4885KDM4E 4446/4885
US-11654129-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use TST, CFTR, SGMS1 MIF 2701/4885ALDH1A1 3225/4885KDM4E 4187/4885
US-11306057-B2 Isothiocyanate functional surfactants, formulations incorporating isothiocyanate functional surfactants and associated methods for treating biofilms CFTR, TST, CBS MIF 2105/4885ALDH1A1 2969/4885KDM4E 4206/4885
US-20230321027-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE TST, CFTR, SGMS1 MIF 2781/4885ALDH1A1 3181/4885KDM4E 4199/4885
US-11407713-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use F12, MSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MIF 2036/4885ALDH1A1 1104/4885KDM4E 4382/4885
US-20170065548-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE TST, CFTR, SGMS1 MIF 2701/4885ALDH1A1 3225/4885KDM4E 4187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.