SCHEMBL5952633

SCHEMBL5952633

Cc1cc2nc(-c3n[nH]cc3[N+](=O)[O-])[nH]c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.48
NPBWR1 P48145 5/20 0.44
AMY1A P0DUB6 5/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
METAP1 P53582 2/20 0.41
METAP2 P50579 1/20 0.41
CBFB Q13951 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5952543 0.90 GUSB (0.40) GUSBNPBWR1AMY1AGAANPC1
SCHEMBL5952046 0.90 NPBWR1 (0.46) GUSBNPBWR1AMY1AGAANPC1
SCHEMBL5952615 0.89 GAA (0.46) GUSBNPBWR1GAANPC1RAB9A
SCHEMBL546457 0.84 AMY1A (0.49) NPBWR1AMY1AGAANPC1RAB9A
SCHEMBL5952807 0.84 NPC1 (0.46) NPBWR1GAANPC1RAB9AMMP2
SCHEMBL5952630 0.80 AMY1A (0.49) NPBWR1AMY1AGAANPC1RAB9A
SCHEMBL5952211 0.80 NPC1 (0.48) NPBWR1AMY1AGAANPC1RAB9A
SCHEMBL5952684 0.79 NPBWR1 (0.44) NPBWR1AMY1ANPC1RAB9AMMP2
SCHEMBL28498979 0.79 ATM (0.39) NPBWR1AMY1AGAANPC1RAB9A
SCHEMBL28497076 0.79 NPBWR1 (0.47) NPBWR1GAANPC1RAB9AMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 GUSB 1543/4885NPBWR1 4340/4885AMY1A 4001/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GUSB 1989/4885NPBWR1 3858/4885AMY1A 2362/4885

“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.