SCHEMBL22345802

SCHEMBL22345802

CC(O)CNCc1nc(Br)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 14/20 0.49
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
AMY1A P0DUB6 1/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.37
CD274 Q9NZQ7 2/20 0.37

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
SCHEMBL26618708 1.00 TRPV3 (0.49) TRPV3ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL22345799 1.00 TRPV3 (0.49) TRPV3ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL30850022 1.00 TRPV3 (0.49) TRPV3ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL28634457 0.83 TRPV3 (0.48) TRPV3ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL28634455 0.83 TRPV3 (0.48) TRPV3ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL28923685 0.82 GAA (0.50) TRPV3CD274
SCHEMBL28923686 0.82 GAA (0.50) TRPV3CD274
SCHEMBL12538098 0.73 TRPV3 (0.66) TRPV3
SCHEMBL22345810 0.72 TRPV3 (0.44) TRPV3
SCHEMBL30850043 0.72 TRPV3 (0.44) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313573-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-10-09 US disclosed
US-20250296939-A1 BENZOTHIOPHENE COMPOUND KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2025-09-25 US disclosed
EP-4516792-A1 BENZOTHIOPHENE COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2025-03-05 EP disclosed
US-20240352034-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-24 US disclosed
CN-118206566-A Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-06-18 CN disclosed
US-11945826-B2 Hydroxypyridoxazepines as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-04-02 US disclosed
CN-113474349-B Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-03-01 CN disclosed
WO-2023210740-A1 BENZOTHIOPHENE COMPOUND 第一三共株式会社 2023-11-02 WO disclosed
US-20220204526-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-30 US disclosed
EP-3924356-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-12-22 EP disclosed
CN-113474349-A Hydroxypyridooxazepine heptatrienes as NRF2 activators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-01 CN disclosed
WO-2020165776-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-20 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 (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-20250296939-A1 BENZOTHIOPHENE COMPOUND NFE2L2, KEAP1, BPTF TRPV3 1238/4885ALDH1A1 278/4885CYP1A2 1478/4885
US-20220204526-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 TRPV3 335/4885ALDH1A1 707/4885CYP1A2 98/4885
US-11945826-B2 Hydroxypyridoxazepines as NRF2 activators KEAP1, NFE2L2, NQO1 TRPV3 335/4885ALDH1A1 707/4885CYP1A2 98/4885
US-20250313573-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 TRPV3 335/4885ALDH1A1 707/4885CYP1A2 98/4885
US-20240352034-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 TRPV3 335/4885ALDH1A1 707/4885CYP1A2 98/4885

“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.