SCHEMBL2610672

SCHEMBL2610672

CCc1cccc2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
DAO P14920 1/20 0.49
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP19A1 P11511 2/20 0.40
HDAC4 P56524 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
BRD4 O60885 1/20 0.36
CACNA1C Q13936 1/20 0.36
ELANE P08246 1/20 0.36
PIM1 P11309 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL3797459 0.84 DAO (0.43) CYP2A6DAOGABRA1GABRB2OPRM1
SCHEMBL3791475 0.81 DAO (0.41) CYP2A6DAOHTR2AHTR2CCYP19A1
SCHEMBL16850003 0.81 OPRM1 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL30620370 0.79 CYP2A6 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL12432195 0.79 CYP2A6 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL30620284 0.79 DAO (0.49) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL113854 0.79 CYP2A6 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL3056444 0.79 CYP2A6 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL3154995 0.79 CYP2A6 (0.46) CYP2A6DAOOPRM1OPRK1HTR2A
SCHEMBL1281862 0.79 CYP2A6 (0.46) CYP2A6DAOGABRA1GABRB2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN claimed
EP-4395499-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2024-07-03 EP disclosed
EP-4203661-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2023-06-28 EP disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
EP-4099413-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-12-07 EP disclosed
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN disclosed
EP-3992200-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-05-04 EP disclosed
US-11248073-B2 Manufacturing polymers of thiophene, benzothiophene, and their alkylated derivatives SAUDI ARABIAN OIL COMPANY (SA) 2022-02-15 US disclosed
US-11208509-B2 Polymer compound for conductive polymer and method for producing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-28 US disclosed
US-20100144785-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO) ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER SAS (FR) 2010-06-10 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (4 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CYP2A6 1948/4885DAO 736/4885GABRA1 51/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 CYP2A6 350/4885DAO 229/4885GABRA1 3470/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 CYP2A6 1971/4885DAO 2146/4885GABRA1 1735/4885
US-20100144785-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO) ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES CBR3, NRDC, CBR1 CYP2A6 85/4885DAO 747/4885GABRA1 1078/4885

“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.