SCHEMBL5951632

SCHEMBL5951632

CCc1cc(NC(C)=O)c([N+](=O)[O-])cc1CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 3/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GALR2 O43603 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HPGD P15428 1/20 0.54
XBP1 P17861 1/20 0.54
CCR6 P51684 1/20 0.54
HTT P42858 2/20 0.51
PKM P14618 2/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH3A1 P30838 1/20 0.44
HCAR3 P49019 1/20 0.43
SLC9A1 P19634 1/20 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
SCHEMBL2551752 0.89 KMT2A (0.54) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL13183892 0.89 MAPT (0.52) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL5951870 0.85 KMT2A (0.51) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL5951849 0.84 KMT2A (0.53) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL23524876 0.81 SLC9A1 (0.54) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL7585822 0.81 ALDH1A1 (0.53) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL6585208 0.80 SMN1; SMN2 (0.47) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL2777885 0.80 KMT2A (0.54) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL3850700 0.80 KMT2A (0.65) KMT2ANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL14903460 0.79 RECQL (0.57) KMT2ANPSR1MAPTPOLBSMN1; 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 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.