SCHEMBL4538752

SCHEMBL4538752

Oc1cc(F)cc(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
PTPN1 P18031 3/20 0.37
ERN1 O75460 1/20 0.37
AKR1B1 P15121 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SIRT1 Q96EB6 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
SCHEMBL919665 0.80 KDM1A (0.42) CA9CA12CA1ERN1AKR1B1
SCHEMBL4691914 0.79 TAAR1 (0.39) CA9CA3CA6CA5ACA14
SCHEMBL31167142 0.79 TAAR1 (0.39) CA9CA3CA6CA5ACA14
SCHEMBL6553272 0.77 KDM1A (0.41) CA9CA12CA1ERN1AKR1B1
SCHEMBL24724647 0.75 PTGS1 (0.38) CA9CA3CA6CA5ACA14
SCHEMBL31088800 0.75 PTGS1 (0.38) CA9CA3CA6CA5ACA14
SCHEMBL21979280 0.75 CA9 (0.36) CA9CA3CA6CA5ACA14
SCHEMBL25205090 0.75 HSD17B10 (0.41) CA9CA3CA6CA5ACA14
SCHEMBL5513552 0.75 ERN1 (0.52) CA9CA3CA6CA5ACA14
SCHEMBL1144151 0.74 CA9 (0.44) CA9CA3CA6CA5ACA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478199-A Bimetallic catalyst and preparation method thereof, and preparation method of high molecular weight olefin polymer 万华化学集团股份有限公司 2023-07-25 CN claimed
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12492187-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-12-09 US disclosed
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 WO disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
EP-4612156-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 US disclosed
WO-2025038462-A2 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 EP disclosed
EP-2638040-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
CN-1407982-A Serotonergic benzofurans LILLY CO ELI (US) 2003-04-02 CN disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 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 (7 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA9 1254/4885CA3 2614/4885CA6 2024/4885
US-12492187-B2 Factor XI activation inhibitors F11, TFPI, F13B CA9 378/4885CA3 3441/4885CA6 1148/4885
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 CA9 3870/4885CA3 938/4885CA6 3155/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA9 1363/4885CA3 3397/4885CA6 3264/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CA9 1363/4885CA3 3397/4885CA6 3264/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA9 1254/4885CA3 2614/4885CA6 2024/4885
US-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC CA9 2697/4885CA3 1138/4885CA6 1148/4885

“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.