SCHEMBL1563589

SCHEMBL1563589

Cc1cccc(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
BRD4 O60885 1/20 0.53
KCNH2 Q12809 1/20 0.47
GRM5 P41594 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CALM1 P0DP23 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
MEN1 O00255 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL19630564 0.85 SMN1; SMN2 (0.44) SMN1; SMN2BRD4KCNH2GRM5ALDH1A1
SCHEMBL22061933 0.85 MPO (0.45) SMN1; SMN2BRD4GRM5ALDH1A1KDM4E
SCHEMBL11330543 0.84 KCNH2 (0.62) SMN1; SMN2BRD4KCNH2ALDH1A1CALM1
SCHEMBL14082023 0.84 CCR1 (0.52) SMN1; SMN2KCNH2GRM5ALDH1A1KDM4E
SCHEMBL19880302 0.84 GRM5 (0.43) SMN1; SMN2BRD4GRM5KEAP1NFE2L2
SCHEMBL19366496 0.82 KEAP1 (0.44) SMN1; SMN2BRD4ALDH1A1KDM4EKEAP1
SCHEMBL20313307 0.82 TAAR1 (0.44) SMN1; SMN2MEN1KMT2AMPO
SCHEMBL5685326 0.82 ESR1 (0.46) SMN1; SMN2BRD4ALDH1A1KDM4EKEAP1
SCHEMBL1563917 0.82 KCNH2 (0.73) SMN1; SMN2KCNH2GRM5ALDH1A1KDM4E
SCHEMBL30173447 0.82 KCNH2 (0.73) SMN1; SMN2KCNH2GRM5ALDH1A1KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021126118-A1 SYNTHESIS OF 2-(SUBSTITUTEDPHENYL)-5-(SUBSTITUTEDHETEROARYL)- 1H-BENZIMIDAZOLE DERIVATIVES AND INVESTIGATION OF THEIR BIOLOGICAL EFFECTS ANADOLU ÜNİVERSİTESİ (TR) 2021-06-24 WO disclosed
US-10818851-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-27 US disclosed
US-9899611-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-9879152-B2 Block copolymers for directed self-assembly applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-01-30 US disclosed
US-9818960-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-9780313-B2 Carbazole-based compound and organic light-emitting device including the same SASMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-20170114246-A1 BLOCK COPOLYMERS FOR DIRECTED SELF-ASSEMBLY APPLICATIONS ELPIS TECHNOLOGIES INC. (CA) 2017-04-27 US disclosed
US-9574107-B2 Fluoro-alcohol additives for orientation control of block copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-02-21 US disclosed
US-20170033297-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-02 US disclosed
CN-101863826-B Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2012-11-21 CN disclosed
EP-1219607-B1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO (JP) 2011-04-06 EP disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 US disclosed
CN-101863826-A Method for preparing 2-benzyl pyridine compound USTC UNIV SCIENCE TECH CN 2010-10-20 CN disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7576198-B1 Integrase inhibitors containing aromatic heterocycle derivatives SHIONOGI & CO., LTD. (JP) 2009-08-18 US disclosed
EP-1219607-A1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP 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-20170033297-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNE1, CCNA1 SMN1; SMN2 470/4885BRD4 951/4885KCNH2 1238/4885
US-10818851-B2 Condensed cyclic compound and organic light-emitting device including the same CCNE2, CCNE1, CCNA1 SMN1; SMN2 470/4885BRD4 951/4885KCNH2 1238/4885
US-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 SMN1; SMN2 3529/4885BRD4 2197/4885KCNH2 360/4885

“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.