SCHEMBL5329304

SCHEMBL5329304

O=C1CSc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.43
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
PTPRC P08575 1/20 0.38
PBRM1 Q86U86 1/20 0.38
BCL2 P10415 2/20 0.37
MCL1 Q07820 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CTSL P07711 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KCNN4 O15554 1/20 0.37
TGM2 P21980 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
SCHEMBL30829218 1.00 S100A4 (0.43) S100A4VHLELOCELOBPTPRC
SCHEMBL2594793 0.84 S100A4 (0.43) S100A4PTPRCPBRM1BCL2MCL1
SCHEMBL29922129 0.84 S100A4 (0.43) S100A4PTPRCPBRM1BCL2MCL1
SCHEMBL69249 0.81 VHL (0.64) S100A4VHLELOCELOBPTPRC
SCHEMBL5858953 0.80 ALDH1A1 (0.50) VHLELOCELOBPTPRCPBRM1
SCHEMBL5203764 0.78 VHL (0.51) S100A4VHLELOCELOBPTPRC
Ethylene SCHEMBL8101571 0.78 VHL (0.60) S100A4VHLELOCELOBPTPRC
SCHEMBL4152484 0.76 NOTUM (0.49) VHLELOCELOBCA1CA2
SCHEMBL10054228 0.76 EPHX2 (0.49) VHLELOCELOBCA1CA2
SCHEMBL68898 0.76 VHL (0.68) S100A4VHLELOCELOBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS 2025-04-10 US disclosed
WO-2025049994-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2025-03-06 WO disclosed
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 US disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 CN disclosed
CN-115703768-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2023-02-17 CN disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
US-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2003-07-10 US disclosed
EP-0948478-B1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-04-10 EP disclosed
US-6087505-A Benzo[1,2-G]-chrom-3-ene, and benzo[1,2-G]-thiochrom-3-ene derivatives ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed
US-5728846-A RETENOIDS, RETINOID ACTIVITY; AGONISTS, ANTAGONISTS ALLERGAN (US) 1998-03-17 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 (5 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-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, RARG, NR2E3 S100A4 4188/4885VHL 2005/4885ELOC 3301/4885
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, NR2E3, RARG S100A4 4159/4885VHL 2237/4885ELOC 3357/4885
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 S100A4 4638/4885VHL 932/4885ELOC 1937/4885
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF EP300, CREBBP, HDAC1 S100A4 1971/4885VHL 545/4885ELOC 303/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 S100A4 3331/4885VHL 2166/4885ELOC 1502/4885

“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.