SCHEMBL7808

SCHEMBL7808

CCCCCC(N=C=S)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.67
CNR2 P34972 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CSNK1E P49674 1/20 0.36
NAAA Q02083 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL17274465 0.98 MIF (0.65) MIFCNR2SIGMAR1KDM4EALDH1A1
SCHEMBL4594809 0.95 MIF (0.69) MIFCNR2SIGMAR1KDM4EALDH1A1
SCHEMBL1526826 0.88 MIF (0.73) MIFSIGMAR1KDM4EALDH1A1HTR2A
SCHEMBL380831 0.83 MIF (0.45) MIFCNR2SIGMAR1KDM4EALDH1A1
SCHEMBL4304143 0.83 MIF (0.45) MIFCNR2SIGMAR1KDM4EALDH1A1
SCHEMBL11240238 0.82 MIF (0.44) MIFCNR2ALDH1A1HTR2AKCNH2
SCHEMBL8101546 0.81 MIF (0.54) MIFNAAA
SCHEMBL3915370 0.80 MIF (1.00) MIFALDH1A1HTR2ANOS3NOS2
SCHEMBL8101646 0.80 MIF (0.57) MIFALDH1A1NAAA
SCHEMBL28806778 0.78 MIF (0.46) MIFCNR2SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4424327-A1 METHOD OR AGENT WITH HDAC REGULATOR, FOR TREATMENT OF DIABETES AND COMPLICATIONS Biozipcode, Inc. (JP) 2024-09-04 EP claimed
CN-118475370-A Methods or agents for treating diabetes and complications based on HDAC modulators 比奥兹普科德公司 2024-08-09 CN claimed
WO-2023074794-A1 METHOD OR AGENT WITH HDAC REGULATOR, FOR TREATMENT OF DIABETES AND COMPLICATIONS 国立大学法人滋賀医科大学 2023-05-04 WO claimed
WO-2010140902-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR HAMPTON MARK (NZ) 2010-12-09 WO claimed
CN-100453076-C Application of phenhexyl isothiocyanate in preparation of medicament for treating leukemia XUDONG MA (CN) 2009-01-21 CN claimed
CN-1961873-A Application of phenhexyl isothiocyanate in preparation of medicament for treating leukemia MA XUDONG (CN) 2007-05-16 CN claimed
US-5231209-A Phenylhexyl isothiocyanate AMERICAN HEALTH FOUNDATION (US) 1993-07-27 US claimed
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
CN-118475370-A Methods or agents for treating diabetes and complications based on HDAC modulators 比奥兹普科德公司 2024-08-09 CN disclosed
US-20230323299-A1 POPULATION OF TREG CELLS FUNCTIONALLY COMMITTED TO EXERT A REGULATORY ACTIVITY AND THEIR USE FOR ADOPTIVE THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-10-12 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
EP-0871767-A4 METHOD FOR AMPLIFYING SPECIFIC NUCLEIC ACID SEQUENCES JOHNSON & JOHNSON RES PTY LTD (AU) 1999-09-01 EP disclosed
EP-0871767-A1 METHOD FOR AMPLIFYING SPECIFIC NUCLEIC ACID SEQUENCES JOHNSON & JOHNSON RESEARCH PTY LIMITED (AU) 1998-10-21 EP disclosed
WO-1996032500-A1 METHOD FOR AMPLIFYING SPECIFIC NUCLEIC ACID SEQUENCES JOHNSON & JOHNSON RESEARCH PTY. LIMITED (AU) 1996-10-17 WO 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 (4 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-12466789-B2 Isothiocyanate functional surfactants, formulations incorporating the same, and associated methods of use F12, MSR1, TST MIF 1902/4885CNR2 2268/4885SIGMAR1 297/4885
US-20250161258-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE TST, TMSB10, NHERF1 MIF 2371/4885CNR2 3341/4885SIGMAR1 1720/4885
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 2036/4885CNR2 1287/4885SIGMAR1 91/4885
US-20230321027-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING THE SAME, AND ASSOCIATED METHODS OF USE TST, CFTR, SGMS1 MIF 2781/4885CNR2 2184/4885SIGMAR1 235/4885

“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.