SCHEMBL3933178

SCHEMBL3933178

Fc1ccccc1CN=C=S

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.52
TRPA1 O75762 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.41
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39
EPAS1 Q99814 1/20 0.39
LMNA P02545 1/20 0.37
AOC3 Q16853 1/20 0.36
NAAA Q02083 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
SCHEMBL2141390 0.84 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29616337 0.84 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL5573138 0.84 MIF (0.49) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9715358 0.79 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL6049 0.79 TAAR1 (0.43) ALDH1A1TAAR1IDO1LMNAAOC3
SCHEMBL8763355 0.78 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2109303 0.77 MIF (0.53) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL41908 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780020 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2564569 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS JOHNS HOPKINS UNIVERSITY 2010-01-21 US disclosed
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS JOHNS HOPKINS UNIVERSITY 2010-01-21 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
US-20040116458-A1 Chemical compounds LILLY ICOS LLC, A DELAWARE CORPORATION 2004-06-17 US disclosed
US-6653478-B2 Psychological disorders; hypotensive agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-25 US disclosed
EP-1360186-A2 CARBOLINE DERIVATIVES Lilly Icos LLC (US) 2003-11-12 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
EP-1330451-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
WO-2002064591-A2 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2002-08-22 WO disclosed
WO-2002055514-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2002-07-18 WO 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 (6 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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885TRPA1 388/4885ALDH1A1 658/4885
US-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators AVPR2, NPY1R, AVPR1B MIF 1570/4885TRPA1 2795/4885ALDH1A1 3058/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885TRPA1 388/4885ALDH1A1 658/4885
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS PTGES2, PTGS2, PPARG MIF 766/4885TRPA1 565/4885ALDH1A1 1180/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MIF 2949/4885TRPA1 3489/4885ALDH1A1 1225/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MIF 2949/4885TRPA1 3489/4885ALDH1A1 1225/4885

“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.