SCHEMBL828631

SCHEMBL828631

Cc1ccc(F)c(C=O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL30005990 1.00 ERN1 (0.36) ERN1CYP2C9CYP3A4CYP2C19HDAC1
SCHEMBL14448986 0.83 ERN1 (0.36) ERN1CYP2C9CYP3A4CYP2C19HDAC1
SCHEMBL2009048 0.82 CYP2C9 (0.36) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL30826192 0.78 ERN1 (0.36) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL29628640 0.78 ERN1 (0.38) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL12384956 0.78 ERN1 (0.38) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL1197434 0.78 CYP2C9 (0.45) ERN1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL21196123 0.77 ERN1 (0.34) ERN1CYP2C9CYP3A4CYP2C19
SCHEMBL20872683 0.76 GABRA1 (0.43) CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL20607903 0.75 ERN1 (0.45) ERN1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO INC (US) 2026-03-26 US disclosed
EP-4587437-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-07-23 EP disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
WO-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 WO disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed
US-20240425490-A1 SULFAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-12-26 US disclosed
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-12-05 US disclosed
US-20240327425-A1 KRAS G12D INHIBITOR AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-10-03 US disclosed
WO-2024199524-A1 COMPOUND AS PKMYT1 INHIBITOR 江苏星盛新辉医药有限公司 2024-10-03 WO disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
US-8143307-B2 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
CN-101137641-B Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH 2010-11-24 CN disclosed
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 US disclosed
EP-1831192-A4 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-19 EP disclosed
CN-101137641-A Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH (KR) 2008-03-05 CN disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 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 (6 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-20240327425-A1 KRAS G12D INHIBITOR AND USE THEREOF KRAS, NRAS, HRAS ERN1 912/4885CYP2C9 2725/4885CYP3A4 3815/4885
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 ERN1 137/4885CYP2C9 3099/4885CYP3A4 2500/4885
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same TNNI3, TNNT2, SLC9A2 ERN1 2133/4885CYP2C9 1091/4885CYP3A4 2616/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ERN1 2368/4885CYP2C9 45/4885CYP3A4 27/4885
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM1, RRM2B, RRM2 ERN1 361/4885CYP2C9 1278/4885CYP3A4 1636/4885
US-20240425490-A1 SULFAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM2B, RRM2, RRM1 ERN1 652/4885CYP2C9 3079/4885CYP3A4 3275/4885

“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.