SCHEMBL5545298

SCHEMBL5545298

NC(=O)c1cccc(CO)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCAT2 O15382 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
ABCB11 O95342 1/20 0.41
PTGS1 P23219 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP2 P50579 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
G6PD P11413 1/20 0.38

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
SCHEMBL8943463 0.86 ABCB11 (0.45) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL3829415 0.85 KDM4E (0.44) PARP1MEN1KMT2ABCAT2HPGD
SCHEMBL3622854 0.84 PARP1 (0.47) PARP1MEN1KMT2AHPGDKDM4E
SCHEMBL3844490 0.84 G6PD (0.57) HPGDALDH1A1TSHRLMNAABCB11
Ammonia Solution, Strong SCHEMBL17727872 0.82 PARP1 (0.46) PARP1MEN1KMT2AHPGDKDM4E
SCHEMBL14899751 0.82 KDM4E (0.41) MEN1KMT2ABCAT2HPGDKDM4E
SCHEMBL3831276 0.82 KDM4E (0.41) PARP1MEN1KMT2ABCAT2HPGD
SCHEMBL619877 0.81 ALDH1A1 (0.52) PARP1MEN1KMT2ABCAT2HPGD
SCHEMBL3824069 0.80 KDM4E (0.40) PARP1MEN1KMT2ABCAT2HPGD
SCHEMBL40536 0.80 ALDH1A1 (0.54) PARP1MEN1KMT2ABCAT2HPGD

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-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
EP-0271059-B1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-20 EP disclosed
US-4971984-A Cardiovascular disorders, hypotensive agints BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-11-20 US disclosed
EP-0271059-A1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-15 EP 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-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 PARP1 1165/4885MEN1 1818/4885KMT2A 1491/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 PARP1 681/4885MEN1 3054/4885KMT2A 1433/4885

“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.