SCHEMBL5952211

SCHEMBL5952211

COc1ccc2[nH]c(-c3n[nH]cc3[N+](=O)[O-])nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
STAT1 P42224 1/20 0.48
NPBWR1 P48145 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
AMY1A P0DUB6 3/20 0.47
PIM1 P11309 3/20 0.43
PIM3 Q86V86 3/20 0.43

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
SCHEMBL5952580 0.87 MAPT (0.45) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL5951537 0.85 CBFB (0.44) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL546457 0.82 AMY1A (0.49) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL5952684 0.82 NPBWR1 (0.44) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL28498979 0.82 ATM (0.39) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL28497076 0.82 NPBWR1 (0.47) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL5952721 0.81 RHEB (0.46) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL6276611 0.80 NPBWR1 (0.49) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL5952633 0.80 GUSB (0.48) NPC1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL5952765 0.80 NPC1 (0.48) NPC1SMN1; SMN2RAB9AMEN1MAPT

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 NPC1 3302/4885SMN1; SMN2 4210/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885SMN1; SMN2 3516/4885RAB9A 955/4885

“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.