SCHEMBL3364900

SCHEMBL3364900

Cc1ccc(CCN=C=S)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.66
CYP2A6 P11509 2/20 0.64
TRPA1 O75762 1/20 0.64
CYP2E1 P05181 1/20 0.64
HIF1A Q16665 1/20 0.64
CYP2A13 Q16696 1/20 0.64
EPAS1 Q99814 1/20 0.64
C3AR1 Q16581 2/20 0.47
NAAA Q02083 4/20 0.47
CYP1A2 P05177 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
P2RY6 Q15077 1/20 0.42

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
SCHEMBL332410 0.89 MIF (0.79) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL18779660 0.85 MIF (0.69) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL8763660 0.83 MIF (0.70) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL3967224 0.79 MIF (0.66) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL1457483 0.79 MIF (1.00) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL2947970 0.79 MIF (1.00) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL11253670 0.79 CYP2A6 (0.45) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL9116288 0.79 MIF (0.92) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL4701206 0.79 MIF (0.68) MIFCYP2A6TRPA1CYP2E1HIF1A
SCHEMBL1706732 0.78 MIF (0.63) MIFCYP2A6TRPA1CYP2E1HIF1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7312326-B2 Fluorescent labeled nucleotide derivatives BECKMAN COULTER, INC. (US) 2007-12-25 US disclosed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
CN-1208329-C Novel aniline derivative HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP 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 (1 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX MIF 1412/4885CYP2A6 817/4885TRPA1 2674/4885

“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.