SCHEMBL5952645

SCHEMBL5952645

CCCc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.52
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HCAR3 P49019 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL29511376 0.92 KMT2A (0.56) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL7203391 0.92 KMT2A (0.56) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL10384686 0.89 KMT2A (0.54) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL7959728 0.89 KMT2A (0.54) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL3850700 0.88 KMT2A (0.65) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL9739647 0.87 MAPT (0.57) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL3870630 0.86 MAPT (0.56) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL20718790 0.86 MAPT (0.56) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL11539572 0.85 MAPT (0.61) KMT2ANPSR1MAPTHTTPOLB
SCHEMBL27942376 0.85 MAPT (0.54) KMT2ANPSR1MAPTHTTPOLB

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 1678/4885NPSR1 4518/4885MAPT 3479/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885NPSR1 4412/4885MAPT 4186/4885

“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.