SCHEMBL1759613

SCHEMBL1759613

[CH2]C(O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
AOC3 Q16853 1/20 0.46
HIF1A Q16665 3/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
IDO2 Q6ZQW0 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL3947176 1.00 CASP1 (0.46) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL3815284 1.00 CASP1 (0.46) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL11606505 0.81 TSHR (0.50) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL6918732 0.79 ADRB2 (0.48) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL29976363 0.79 ADRB2 (0.48) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL230382 0.79 ADRB2 (0.48) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL20764909 0.78 CFD (0.44) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL456765 0.77 ADRB2 (0.47) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL9503376 0.75 ADRB2 (0.46) CASP1ADRB2ADRB1AOC3HIF1A
SCHEMBL316799 0.75 ADRB2 (0.55) CASP1ADRB2ADRB1AOC3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-104271571-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
CN-102812011-A [1,5] -diazacyclo-octatetraene derivative MELLITECH 2012-12-05 CN disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 WO disclosed
CN-1344256-A (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors AXYS PHARM INC (US) 2002-04-10 CN disclosed
CN-1077567-C Halogen substituted carbamate compounds from 2-phenyl-1,2-ethanediol SK LTD (KR) 2002-01-09 CN disclosed
CN-1208402-A Halogen substituted carbamate compounds from 2-phenyl-1,2-ethanediol SK LIMITED (KR) 1999-02-17 CN disclosed
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0212607-A1 Process for the production of halophenyl-hydroxyethyl sulphides and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
CN-85104572-A The preparation method of dihydropyridine 1986-12-24 CN 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 (1 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R CASP1 1352/4885ADRB2 1097/4885ADRB1 697/4885

“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.