SCHEMBL405354

SCHEMBL405354

Brc1ccc2ccsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AHR P35869 1/20 0.35
BACE1 P56817 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTT P42858 2/20 0.33
DYRK1A Q13627 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APP P05067 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL30623084 1.00 CYP2A6 (0.41) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL28745027 0.94 CYP2A6 (0.37) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL226062 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL30714252 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL28744566 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13742552 0.75 DYRK1A (0.48) CYP2A6SIGMAR1DYRK1AMRGPRX4
SCHEMBL164774 0.73 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18725843 0.71 CYP2A6 (0.36) CYP2A6SIGMAR1DYRK1AMRGPRX4
SCHEMBL911044 0.71 ESR1 (0.44) CYP2A6HTTCYP1A2MRGPRX4
SCHEMBL276241 0.71 CYP2A6 (0.41) CYP2A6SIGMAR1DYRK1AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853795-A Arylboron compound of conjugated olefin and preparation method and application thereof 南京工业大学 2022-08-05 CN claimed
CN-113956268-B 6-bromo-1-chlorobenzothiophene [2,3-c ] pyridine and synthetic method 西安欧得光电材料有限公司 2022-07-15 CN claimed
CN-113956268-A 6-bromo-1-chlorobenzothiophene [2,3-c ] pyridine and synthetic method 西安欧得光电材料有限公司 2022-01-21 CN claimed
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4709481-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS Amgen Inc. (US) 2026-03-18 EP disclosed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
US-12459912-B2 Advantageous benzothiophene compositions for mental disorders or enhancement TACTOGEN INC (US) 2025-11-04 US disclosed
US-20250289812-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES RUIJIN HOSPITAL, SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2025-09-18 US disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
EP-0526951-A1 3-Phenyl benzo b thiophenes as pesticidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-10 EP disclosed
EP-0125059-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-02-27 EP disclosed
US-4853380-A REACTING SULFONATED HETEROCYCLIC SULFUR COMPOUNDS WITH DIAMINES OF PLATINUM NITRATE INTERNATIONAL PHARMACEUTICAL PRODUCTS (US) 1989-08-01 US disclosed
US-4664693-A POSTEMERGENCE ICI AUSTRALIA LIMITED (AU) 1987-05-12 US disclosed
EP-0125059-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 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 (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-20250289812-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES ITGB3, SRC, FYN CYP2A6 3393/4885ALDH1A1 4001/4885MAPT 2125/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK CYP2A6 4672/4885ALDH1A1 4075/4885MAPT 4168/4885
US-12459912-B2 Advantageous benzothiophene compositions for mental disorders or enhancement SLC6A3, CREBBP, SLC1A2 CYP2A6 1879/4885ALDH1A1 2491/4885MAPT 63/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 CYP2A6 284/4885ALDH1A1 1469/4885MAPT 355/4885

“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.