SCHEMBL4700347

SCHEMBL4700347

COC(=O)C(Cc1ccccc1)N=C=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.54
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ANPEP P15144 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL820965 0.86 MIF (0.56) MIFATMALDH1A1LMNAGLA
SCHEMBL135996 0.86 MIF (0.56) MIFATMALDH1A1LMNAGLA
SCHEMBL5399978 0.86 MIF (0.56) MIFATMALDH1A1LMNAGLA
SCHEMBL5062356 0.82 CYP1A2 (0.50) MIFALDH1A1HSD17B10PPARGPPARA
SCHEMBL6987849 0.82 CYP1A2 (0.50) MIFALDH1A1HSD17B10PPARGPPARA
SCHEMBL19283457 0.81 MIF (0.48) MIFLMNATHRBCYP2C9MEN1
SCHEMBL28216477 0.80 EPHX1 (0.53) MIFALDH1A1ANPEPPOLB
SCHEMBL22651739 0.80 MIF (0.58) MIFATMALDH1A1LMNAGLA
SCHEMBL28038144 0.77 MIF (0.56) MIFATMALDH1A1LMNAGLA
SCHEMBL2210789 0.76 MIF (0.54) MIFATMALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330451-B1 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2008-01-23 EP disclosed
US-6653478-B2 Psychological disorders; hypotensive agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-25 US 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
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 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
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
US-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 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 (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-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators AVPR2, NPY1R, AVPR1B MIF 1570/4885ATM 1170/4885ALDH1A1 3058/4885

“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.