SCHEMBL5952684

SCHEMBL5952684

O=[N+]([O-])c1c[nH]nc1-c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIM3 Q86V86 2/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
CHEK2 O96017 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL28498979 0.85 ATM (0.39) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL5952807 0.84 NPC1 (0.46) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL5952211 0.82 NPC1 (0.48) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL5951462 0.81 KIF11 (0.43) NPBWR1MAPTMEN1ALDH1A1HPGD
SCHEMBL28497076 0.81 NPBWR1 (0.47) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL13375032 0.81 CBFB (0.40) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL1645381 0.81 MMP2 (0.56) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL5952046 0.80 NPBWR1 (0.46) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL13375241 0.80 NPBWR1 (0.37) NPBWR1MAPTNPC1RAB9AHTT
SCHEMBL5951537 0.80 CBFB (0.44) NPBWR1MAPTNPC1RAB9AHTT

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 13 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-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 NPBWR1 4340/4885MAPT 3479/4885NPC1 3302/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPBWR1 3858/4885MAPT 4186/4885NPC1 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.