SCHEMBL379478

SCHEMBL379478

O=Cc1cc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
PGR P06401 1/20 0.41
CYP2A6 P11509 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CNR1 P21554 1/20 0.37
CYP2E1 P05181 2/20 0.37
CYP2B6 P20813 2/20 0.37
BRD4 O60885 1/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALAD P13716 2/20 0.35
MMP12 P39900 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL30104097 0.86 PGR (0.44) PGRCYP2A6
SCHEMBL6194738 0.81 LMNA (0.46) PGRCYP2A6ALDH1A1NPC1CYP2E1
SCHEMBL6057498 0.81 PGR (0.43) PGRCYP2A6ALDH1A1KDM4ETRIM24
SCHEMBL12177559 0.79 ALAD (0.53) PGRALDH1A1RAB9ACNR1SMN1; SMN2
SCHEMBL2320780 0.79 PGR (0.42) PGRALDH1A1RAB9AALADKDM4E
SCHEMBL2321226 0.79 PGR (0.49) PGRCYP2A6ALDH1A1NPC1RAB9A
SCHEMBL2319480 0.79 PGR (0.46) PGRCYP2A6ALDH1A1CNR1NOTUM
SCHEMBL26682030 0.79 HSD17B1 (0.61) PGRCYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL2552759 0.79 ERN1 (0.51) ALDH1A1NPC1RAB9AALADKDM4E
SCHEMBL2556885 0.79 KMO (0.56) ALDH1A1KDM4ELMNATRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 WO claimed
CN-118290622-A Metallocene compound, catalyst component for olefin polymerization and catalyst for olefin polymerization comprising the same, and method for producing olefin polymer using catalyst for olefin polymerization 日本聚乙烯株式会社 2024-07-05 CN disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2024010732-A1 SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
WO-2023201012-A1 IKZF2 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-19 WO disclosed
CN-113637036-A Metallocene compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 日本聚乙烯株式会社 2021-11-12 CN disclosed
US-20210122856-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYETHYLENE CORPORATION (JP) 2021-04-29 US disclosed
EP-3162798-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-04-14 EP disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0032432-B1 PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 1985-07-24 EP disclosed
US-4438111-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 US disclosed
US-4327092-A USEFUL AS ANTICOAGULANTS AND ANTI-HISTAMINES GLAXO GROUP LIMITED (GB) 1982-04-27 US disclosed
EP-0032432-A1 Prostanoid compounds and their preparation and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1981-07-22 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 (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-20210122856-A1 METALLOCENE COMPOUND, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST FOR OLEFIN POLYMERIZATION COG1, CPNE4, COG4 HDAC6 2619/4885PGR 1333/4885CYP2A6 462/4885

“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.