SCHEMBL3881663

SCHEMBL3881663

Cc1cc(-c2cnco2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
PTK2 Q05397 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.36
POLB P06746 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
ROCK2 O75116 1/20 0.35
HTT P42858 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
KEAP1 Q14145 1/20 0.33

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 0.69 RAB9A (0.44) RAB9ANPC1KDM4EGAAPOLB
SCHEMBL17244529 0.69 MAPT (0.62) LMNAPKMRAB9ANPC1KDM4E
SCHEMBL3876705 0.68 RAB9A (0.36) RAB9ANPC1KDM4EGAAPOLB
SCHEMBL21233330 0.67 LMNA (0.42) LMNAPKMPTK2NOTUMGAA
SCHEMBL13484014 0.67 LMNA (0.46) LMNAPKMPTK2NOTUMGAA
SCHEMBL22925886 0.67 LMNA (0.46) LMNAPKMPTK2NOTUMGAA
SCHEMBL47206 0.66
SCHEMBL2150991 0.66 ROCK2 (0.49) LMNAPKMPTK2NOTUMGAA
SCHEMBL21230572 0.65 LMNA (0.64) LMNAPKMPTK2NOTUMGAA
SCHEMBL16785609 0.65 LMNA (0.64) LMNAPKMPTK2NOTUMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
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-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
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 LMNA 931/4885PKM 3930/4885PTK2 3288/4885

“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.