SCHEMBL1646147

SCHEMBL1646147

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 6/20 0.45
ABCC1 P33527 6/20 0.45
PKM P14618 1/20 0.43
THRB P10828 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
SCHEMBL9396485 0.88 MAPT (0.52) MAPTNPSR1KMT2AMEN1HTT
SCHEMBL28664013 0.87 MAPT (0.51) MAPTNPSR1KMT2AMEN1HTT
SCHEMBL23389131 0.85 NPSR1 (0.45) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL9527822 0.85 NPSR1 (0.45) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL1425030 0.85 MAPT (0.55) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL13811009 0.84 NPSR1 (0.49) MAPTNPSR1KMT2AHTTALDH1A1
SCHEMBL5953169 0.84 KMT2A (0.50) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL11005161 0.84 NPSR1 (0.44) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL9232481 0.83 MAPT (0.54) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL4652737 0.83 MAPT (0.54) MAPTNPSR1KMT2AMEN1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105949178-B Benzimidazole compound, preparation method, intermediate and application thereof 西格莱(苏州)生物医药有限公司 2020-05-26 CN disclosed
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-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-20070197636-A1 Coumarin Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
WO-2005082879-A1 COUMARIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-09 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US 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 (7 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885NPSR1 428/4885KMT2A 2962/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885NPSR1 428/4885KMT2A 2962/4885
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MAPT 1056/4885NPSR1 4870/4885KMT2A 1491/4885
US-20070197636-A1 Coumarin Derivative And Use Thereof CBR3, HCCS, CBR1 MAPT 4209/4885NPSR1 1788/4885KMT2A 1602/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MAPT 1056/4885NPSR1 4870/4885KMT2A 1491/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885NPSR1 428/4885KMT2A 2962/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 MAPT 1395/4885NPSR1 533/4885KMT2A 2935/4885

“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.