SCHEMBL629949

SCHEMBL629949

BrCc1cccc(Br)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
IDO1 P14902 2/20 0.37
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A13 Q16696 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL29466647 1.00 TAAR1 (0.38) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL6525315 0.84 APOBEC3G (0.35) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL1293367 0.84 GABRA1 (0.48) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL12787109 0.84 GABRA1 (0.54) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL7925692 0.84 TAAR1 (0.34) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL338177 0.84 GABRA1 (0.38) GABRA1GABRB2TSHRTRPA1ALDH1A1
SCHEMBL173876 0.84 ALDH1A1 (0.36) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL8217001 0.79 GABRA1 (0.34) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL29562705 0.77 GABRA1 (0.44) TAAR1GABRA1GABRB2IDO1TSHR
SCHEMBL305224 0.77 GABRA1 (0.44) TAAR1GABRA1GABRB2IDO1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 EP disclosed
US-12479807-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2025-11-25 US disclosed
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-14 US disclosed
EP-3259250-B1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS OXFORD DRUG DESIGN LTD (GB) 2025-07-02 EP disclosed
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-05-29 US disclosed
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-03-13 US disclosed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 WO disclosed
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
US-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof Ensem Therapeutics (US) 2024-07-25 US disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
US-7067653-B2 Porphyrin Based neuton capture agents for cancer therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-27 US disclosed
US-20040116385-A1 Treating and preventing viral infections with porphyrin-based compounds BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2004-06-17 US disclosed
US-20040106592-A1 Chelation of charged and uncharged molecules with porphyrin-based compounds BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2004-06-03 US disclosed
US-20040014737-A1 Porphyron based neuton capture agents for cancer therapy REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-01-22 US disclosed
WO-2001085736-A1 PORPHYRIN-BASED NEUTRON CAPTURE AGENTS FOR CANCER THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-15 WO disclosed
US-5728712-A 3,4-disubstituted-phenylsulphonamides and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-03-17 US disclosed
WO-1996036611-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 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 (8 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-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 TAAR1 492/4885GABRA1 598/4885GABRB2 1307/4885
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 TAAR1 872/4885GABRA1 2492/4885GABRB2 2973/4885
US-20040106592-A1 Chelation of charged and uncharged molecules with porphyrin-based compounds HMBS, PPOX, SLC7A1 TAAR1 3950/4885GABRA1 2535/4885GABRB2 1730/4885
US-12479807-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 TAAR1 4653/4885GABRA1 4017/4885GABRB2 4110/4885
US-20040014737-A1 Porphyron based neuton capture agents for cancer therapy PPOX, HMBS, PYGB TAAR1 4756/4885GABRA1 2202/4885GABRB2 1662/4885
US-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof CDK2, CDK3, CDK4 TAAR1 4715/4885GABRA1 4707/4885GABRB2 4551/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 TAAR1 872/4885GABRA1 2492/4885GABRB2 2973/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 TAAR1 887/4885GABRA1 2506/4885GABRB2 2988/4885

“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.