SCHEMBL6153764

SCHEMBL6153764

COc1ccc(CSc2cccc(N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
APP P05067 1/20 0.54
MAOA P21397 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
DAO P14920 1/20 0.48
LTB4R Q15722 1/20 0.47
HDAC3 O15379 1/20 0.46
NCOR1 O75376 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
IDO1 P14902 2/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 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
SCHEMBL6153761 0.83 MAOB (0.56) MAOBAPPMAOAALDH1A1DAO
SCHEMBL20132015 0.82 RAB9A (0.50) ALDH1A1DAOHDAC3NCOR1HDAC1
SCHEMBL28070732 0.80 APP (0.70) MAOBAPPMAOAALDH1A1CYP3A4
SCHEMBL31441986 0.80 MAOB (0.52) MAOBMAOAALDH1A1CYP3A4DAO
SCHEMBL2272164 0.80 APP (0.69) MAOBAPPMAOAALDH1A1DAO
SCHEMBL1323306 0.80 MAOB (0.52) MAOBMAOAALDH1A1CYP3A4DAO
SCHEMBL5556586 0.79 TP53 (0.59) ALDH1A1CYP3A4HDAC3NCOR1HDAC1
SCHEMBL6154708 0.78 MAOA (0.50) MAOBMAOAALDH1A1CYP3A4DAO
SCHEMBL6663788 0.77 MAOB (0.48) MAOBAPPMAOAALDH1A1DAO
SCHEMBL3228582 0.77 APP (0.82) MAOBAPPMAOAALDH1A1CYP3A4

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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-4761425-A ANTIASTHMATICS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1988-08-02 US disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
EP-0147217-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1985-07-03 EP disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAOB 3660/4885APP 4880/4885MAOA 4410/4885

“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.