SCHEMBL5952630

SCHEMBL5952630

COc1cc2nc(-c3n[nH]cc3[N+](=O)[O-])[nH]c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 8/20 0.49
NPBWR1 P48145 8/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL546457 0.90 AMY1A (0.49) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952807 0.88 NPC1 (0.46) NPBWR1NPC1MAPTRAB9AMEN1
SCHEMBL5952046 0.83 NPBWR1 (0.46) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952296 0.81 AMY1A (0.43) AMY1ANPC1GAAEGLN1HDAC11
SCHEMBL13375233 0.81 CBFB (0.44) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952633 0.80 GUSB (0.48) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952211 0.79 NPC1 (0.48) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952684 0.78 NPBWR1 (0.44) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952543 0.76 GUSB (0.40) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL5952615 0.75 GAA (0.46) NPBWR1NPC1MAPTRAB9AMEN1

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 12 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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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-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 AMY1A 4001/4885NPBWR1 4340/4885NPC1 3302/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AMY1A 2362/4885NPBWR1 3858/4885NPC1 2551/4885

“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.