SCHEMBL377108

SCHEMBL377108

CC(=O)Nc1cc(F)c(Br)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL1316516 0.93 HDAC1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL24170460 0.86 CA1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL25804814 0.85 NPC1 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL31569460 0.85 ALDH1A1 (0.48) HDAC1HDAC6CA1CA2CA9
SCHEMBL1541823 0.83 ALDH1A1 (0.47) CA1CA2CA9ALDH1A1HPGD
SCHEMBL30526799 0.83 ALDH1A1 (0.47) CA1CA2CA9ALDH1A1HPGD
SCHEMBL20847860 0.83 HPGD (0.46) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL21604686 0.81 CA1 (0.47) HDAC1HDAC6CA1CA2CA9
SCHEMBL21802753 0.81 HDAC1 (0.51) HDAC1HDAC6CA1CA2CA9
SCHEMBL30987572 0.81 HDAC1 (0.51) HDAC1HDAC6CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 — — EP disclosed
EP-3766878-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-16 — — EP disclosed
CN-108137557-B Nrf2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 — — CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 — — CN disclosed
EP-3766878-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-01-20 — — EP disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 — — US disclosed
EP-3307729-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-09-02 — — EP disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 — — US disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 — — US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 — — US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 — — US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 — — US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 — — US disclosed
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 — — EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 — — US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 — — WO disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 — — US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 — — US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 — — 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 (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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 HDAC1 3067/4885HDAC6 1788/4885CA1 3739/4885
US-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 HDAC1 653/4885HDAC6 814/4885CA1 4821/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HDAC1 878/4885HDAC6 427/4885CA1 4880/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HDAC1 155/4885HDAC6 321/4885CA1 1157/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 HDAC1 653/4885HDAC6 814/4885CA1 4821/4885

“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.

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