SCHEMBL459370

SCHEMBL459370

FC(Br)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.44
TRPA1 O75762 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC18A2 Q05940 1/20 0.43
ANPEP P15144 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL1287175 0.79 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL30657566 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL686329 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL184702 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7252952 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1121849 0.77 TRPA1 (0.47) TAAR1MAOATRPA1
SCHEMBL660825 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Hydrogen Sulfide SCHEMBL9623454 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10514103 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL16034061 0.75 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119465288-A Anion exchange membrane, preparation method and application thereof, and electrolysis device 氢和元泰(常州)新材料科技有限公司 2025-02-18 CN claimed
US-12622917-B2 High-activity Wnt pathway inhibitor compound ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2026-05-12 US disclosed
US-12570613-B2 Imidazoquinoline or benzoindazolone compound and intermediate for preparing same LMITO THERAPEUTICS INC. (KR) 2026-03-10 US disclosed
WO-2025104092-A1 MODULATORS OF SEPTIN 6 FOR USE IN THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
WO-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
CN-119528906-A Azaspiro compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-28 CN disclosed
CN-119465288-A Anion exchange membrane, preparation method and application thereof, and electrolysis device 氢和元泰(常州)新材料科技有限公司 2025-02-18 CN disclosed
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN disclosed
US-20240034719-A1 IMIDAZOQUINOLINE OR BENZOINDAZOLONE COMPOUND AND INTERMEDIATE FOR PREPARING SAME LMITO THERAPEUTICS INC. (KR) 2024-02-01 US disclosed
US-20230390301-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2023-12-07 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
EP-0410756-B1 Cyclohexenylethane compounds CHISSO CORP (JP) 1994-09-14 EP disclosed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
US-5064565-A Liquid crystals CHISSO CORPORATION (JP) 1991-11-12 US disclosed
EP-0410756-A1 Cyclohexenylethane compounds Chisso Corporation (JP) 1991-01-30 EP disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 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 (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-12622917-B2 High-activity Wnt pathway inhibitor compound WNT1, WNT3, WNT3A EPHX1 3279/4885TAAR1 1861/4885SLC6A2 4240/4885
US-20240034719-A1 IMIDAZOQUINOLINE OR BENZOINDAZOLONE COMPOUND AND INTERMEDIATE FOR PREPARING SAME NQO1, NFE2L2, KEAP1 EPHX1 1263/4885TAAR1 4074/4885SLC6A2 2733/4885
US-12570613-B2 Imidazoquinoline or benzoindazolone compound and intermediate for preparing same NQO1, CBR1, NFE2L2 EPHX1 775/4885TAAR1 2115/4885SLC6A2 2256/4885
US-20230390301-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND WNT1, WNT3A, CTNNB1 EPHX1 1543/4885TAAR1 4878/4885SLC6A2 4875/4885

“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.