SCHEMBL1645883

SCHEMBL1645883

COS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 4/20 0.53
MAPT P10636 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
FFAR4 Q5NUL3 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NSD2 O96028 1/20 0.45
PLCG1 P19174 1/20 0.45
DNMT1 P26358 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
SCHEMBL14747747 0.84 ALDH1A1 (0.59) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL14747742 0.83 ALDH1A1 (0.57) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL11460035 0.82 ALDH1A1 (0.54) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL9574404 0.81 VCAM1 (0.47) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL913390 0.81 ALDH1A1 (0.68) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL1564742 0.80 KMT2A (0.67) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL30932792 0.80 KMT2A (0.67) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL6513677 0.80 VCAM1 (0.41) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL9488387 0.80 VCAM1 (0.63) ALDH1A1VCAM1
SCHEMBL6518707 0.80 VCAM1 (0.41) ALDH1A1MEN1POLBKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (3 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885MEN1 1818/4885POLB 612/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885MEN1 1818/4885POLB 612/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885MEN1 3054/4885POLB 672/4885

“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.