SCHEMBL3876705

SCHEMBL3876705

Cc1cc(-c2cn[c]o2)no1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.35
HTT P42858 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL1672443 0.68 RAB9A (0.44) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL3881663 0.68 LMNA (0.44) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL9673510 0.67 CYP1A2 (0.32) RAB9ANPC1KDM4E
SCHEMBL207646 0.65
SCHEMBL17244529 0.64 MAPT (0.62) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL1030526 0.62 RAB9A (0.38) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL16481949 0.61 RAB9A (0.49) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL2820759 0.60 HPGD (0.37) RAB9ANPC1KDM4EPOLBHTT
SCHEMBL3872455 0.60 NPC1 (0.35) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL4484700 0.60 RAB9A (0.44) RAB9ANPC1KDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO claimed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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 (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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK RAB9A 419/4885NPC1 59/4885KDM4E 3669/4885

“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.