SCHEMBL647103

SCHEMBL647103

Brc1cccc2cc[c]cc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.34
AHR P35869 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
NOS1 P29475 2/20 0.31
AXL P30530 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC9A1 P19634 1/20 0.30
GRM5 P41594 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL146326 0.83 BACE1 (0.34) BACE1AHRNOS1AXLCA12
SCHEMBL2781984 0.77 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL2253188 0.74 ALDH1A1 (0.54) PARP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL643662 0.74 MEN1 (0.33) CA12CA9
SCHEMBL466417 0.74 CYP2A6 (0.54) CA9ALDH1A1CYP1A2CYP2C19
SCHEMBL645983 0.74 CYP2A6 (0.54) AHRNOS1CA12CA9ALDH1A1
SCHEMBL645849 0.74 CYP1A2 (0.54) ALDH1A1CYP1A2
SCHEMBL578564 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25063 0.73 ALDH1A1 (0.57) ALDH1A1CYP1A2
SCHEMBL2271084 0.72 ALDH1A1 (0.39) CA12CA9ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
WO-2015040141-A1 CYCLOBUTYLCARBOXAMIDES AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-26 WO disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US disclosed
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 EP disclosed
WO-2001096365-A1 PYRIDINE-2-YL-AMINOALKYL CARBONYL GLYCYL-$G(B)-ALANINE AND DERIVATIVES THEREOF MERCK PATENT GMBH (DE) 2001-12-20 WO disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 WO disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 WO disclosed
CN-1022632-C Carboxamide compounds, process for preparing same and pharmaceutical composition containing same OTSUKA PHARMA CO LTD (JP) 1993-11-03 CN disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
CN-1040029-A Carboxylic acid amide compounds and preparation method thereof and contain the pharmaceutical composition of this carboxylic acid amine compound OTSUKA PHARMA CO LTD (JP) 1990-02-28 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 (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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 BACE1 190/4885AHR 322/4885ENPP3 2486/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 BACE1 1913/4885AHR 28/4885ENPP3 4261/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 BACE1 3869/4885AHR 303/4885ENPP3 3532/4885

“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.