SCHEMBL586988

SCHEMBL586988

Brc1csc(-c2nc(Br)cs2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 2/20 0.31
POLB P06746 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL20875121 0.78 KDM4E (0.59) CYP19A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL67456 0.78
SCHEMBL2155406 0.75 CYP19A1 (0.40) CYP19A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL14157151 0.75 MAPT (0.53) CYP19A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL1533682 0.73
SCHEMBL21823786 0.72 CYP19A1 (0.50) CYP19A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL18715424 0.72
SCHEMBL21823929 0.72 ACHE (0.39) CYP19A1KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL21823772 0.72 CYP19A1 (0.33) CYP19A1KDM4ERAB9A
SCHEMBL15689010 0.71 PDE10A (0.34) CYP19A1KDM4ELMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 EP disclosed
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-02-18 US disclosed
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 CN disclosed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US disclosed
EP-2417177-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES Heraeus Precious Metals GmbH & Co. KG (DE) 2012-02-15 EP disclosed
WO-2010115623-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES H.C.STARCK CLEVIOS GMBH (DE) 2010-10-14 WO disclosed
WO-2010115623-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES H.C.STARCK CLEVIOS GMBH (DE) 2010-10-14 WO 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-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C CYP19A1 1079/4885KDM4E 3896/4885LMNA 4885/4885
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C CYP19A1 1079/4885KDM4E 3896/4885LMNA 4885/4885
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C CYP19A1 1079/4885KDM4E 3896/4885LMNA 4885/4885
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C CYP19A1 1079/4885KDM4E 3896/4885LMNA 4885/4885

“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.