SCHEMBL5951537

SCHEMBL5951537

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.44
RUNX1 Q01196 7/20 0.43
TRPV1 Q8NER1 1/20 0.41
CHEK2 O96017 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 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
SCHEMBL5952211 0.85 NPC1 (0.48) RUNX1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL5951462 0.84 KIF11 (0.43) CBFBKMT2AMEN1CYP3A4CYP2C9
SCHEMBL28498979 0.82 ATM (0.39) KMT2AMEN1SMN1; SMN2GAANPC1
SCHEMBL5952580 0.82 MAPT (0.45) CBFBCHEK2KMT2AMEN1SMN1; SMN2
SCHEMBL5951426 0.81 CBFB (0.47) CBFBRUNX1TRPV1CHEK2KMT2A
SCHEMBL5952684 0.80 NPBWR1 (0.44) CHEK2KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL28497076 0.79 NPBWR1 (0.47) TRPV1CHEK2KMT2AMEN1SMN1; SMN2
SCHEMBL13375032 0.77 CBFB (0.40) CBFBSMN1; SMN2GAANPC1MAPT
SCHEMBL1645381 0.76 MMP2 (0.56) SMN1; SMN2GAANPC1LMNAMAPT
SCHEMBL11903560 0.76 MAPT (0.60) TRPV1CHEK2KMT2AMEN1SMN1; SMN2

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 CBFB 3643/4885RUNX1 3214/4885TRPV1 1073/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CBFB 4136/4885RUNX1 2068/4885TRPV1 1294/4885

“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.