SCHEMBL1787597

SCHEMBL1787597

NC(=O)c1cccc(Br)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MIF P14174 1/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
PARP1 P09874 3/20 0.39
BCAT2 O15382 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL31141922 1.00 METAP2 (0.45) METAP2KDM4EALDH1A1LMNATSHR
SCHEMBL3787249 0.84 KDM4E (0.52) METAP2KDM4EALDH1A1LMNATSHR
SCHEMBL1552127 0.81 ALDH1A1 (0.43) ALDH1A1TSHRHPGDMIFKMT2A
SCHEMBL156051 0.81 TSHR (0.63) KDM4EALDH1A1LMNATSHRHPGD
SCHEMBL16914408 0.79 KDM4E (0.44) METAP2KDM4EALDH1A1LMNATSHR
SCHEMBL2063058 0.79 TSHR (0.41) ALDH1A1LMNATSHRMIFKMT2A
SCHEMBL29746220 0.79 CA1 (0.47) KDM4EALDH1A1LMNAMAPTMIF
SCHEMBL3142731 0.79 CA1 (0.47) KDM4EALDH1A1LMNAMAPTMIF
SCHEMBL29787113 0.78 TSHR (0.65) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL3170417 0.78 METAP2 (0.48) METAP2KDM4EALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461538-A Preparation method of 2-chloro-3-bromoaniline 无锡双启科技有限公司 2021-10-01 CN disclosed
CN-108349996-A Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
CN-107674073-A 3,5 2 as protein kinase modulators substitute 3H imidazoles (or [1,2,3] triazole) simultaneously [4,5 B] pyridine compounds 印蔻真治疗公司 2018-02-09 CN disclosed
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
CN-103068824-B Novel 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridines and 3, 5-disubstituted-3H- [1,2,3] triazolo [4,5-B ] pyridine compounds as protein kinase modulators 印蔻真治疗公司 2017-09-08 CN disclosed
CN-107082779-A It is used as the noval chemical compound of C MET protein kinase modulators 理森制药股份公司 2017-08-22 CN disclosed
CN-106795100-A Compound, pharmaceutical composition and its purposes in nerve degenerative diseases are treated 法国里尔第二大学 2017-05-31 CN disclosed
CN-105473556-A Strobilurin-type compounds for controlling phytopathogenic fungi BASF SE 2016-04-06 CN disclosed
CN-104321322-A Novel 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridines and 3, 5-disubstituted-3H- [1,2,3] triazolo [4,5-B ] pyridines as modulators of C-MET protein kinase RHIZEN PHARMACEUTICALS SA 2015-01-28 CN disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
WO-2014008214-A1 BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS BIOGEN IDEC MA INC. (US) 2014-01-09 WO disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 METAP2 1187/4885KDM4E 3829/4885ALDH1A1 3500/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 METAP2 1031/4885KDM4E 2806/4885ALDH1A1 4254/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 METAP2 1187/4885KDM4E 3829/4885ALDH1A1 3500/4885

“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.