SCHEMBL9205693

SCHEMBL9205693

NC(=O)COc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.70
POLB P06746 1/20 0.59
MAOB P27338 1/20 0.56
AOC3 Q16853 1/20 0.56
FKBP1A P62942 1/20 0.55
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.51
NOTUM Q6P988 2/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48

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
SCHEMBL4426732 0.89 WDR5 (0.56) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL1308577 0.84 WDR5 (0.62) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL29590819 0.84 WDR5 (0.62) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL523934 0.84 LMNA (0.64) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL29447016 0.84 LMNA (0.64) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL6849640 0.83 WDR5 (0.57) WDR5POLBRXRARXRBRXRG
SCHEMBL6846925 0.83 KDM4E (0.58) WDR5POLBRXRARXRBRXRG
SCHEMBL9205686 0.82 WDR5 (0.65) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL11280610 0.82 WDR5 (0.60) WDR5POLBMAOBAOC3FKBP1A
SCHEMBL7842545 0.82 WDR5 (0.70) WDR5POLBMAOBAOC3FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP claimed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US claimed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US claimed
CN-102516196-B Alpha, beta-unsaturated ketone compound containing thiazole heterocycle, its preparation method and application UNIV SHANDONG 2014-09-03 CN claimed
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
EP-3224255-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2017-10-04 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
WO-2016083818-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO disclosed
EP-2755949-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
CN-103570630-A Heterocyclic nitrogen derivative and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2014-02-12 CN disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 WO disclosed
WO-2013037717-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
US-4031084-A Process for cephalosporin antibiotic intermediates ELI LILLY AND COMPANY (US) 1977-06-21 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 (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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 WDR5 2586/4885POLB 3826/4885MAOB 137/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 WDR5 2586/4885POLB 3826/4885MAOB 137/4885

“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.