SCHEMBL5951870

SCHEMBL5951870

CCc1cc(NC(C)=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4850772 0.88 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL4850761 0.88 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL5951849 0.88 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL9396485 0.87 MAPT (0.52) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL28664013 0.85 MAPT (0.51) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL5951632 0.85 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL13811009 0.83 NPSR1 (0.49) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL5953169 0.83 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1646147 0.82 MAPT (0.48) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL4346832 0.82 MAPT (0.49) KMT2AALDH1A1SMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1678/4885ALDH1A1 1389/4885SMN1; SMN2 4210/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885ALDH1A1 862/4885SMN1; SMN2 3516/4885

“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.