SCHEMBL3871871

SCHEMBL3871871

BrCc1cccc(I)c1CBr

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
IDO1 P14902 2/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL31057408 1.00 TAAR1 (0.37) TAAR1IDO1GABRA1GABRB2
SCHEMBL6464715 0.85 TAAR1 (0.33) TAAR1IDO1
SCHEMBL338177 0.82 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL13619126 0.80 TAAR1 (0.31) TAAR1
SCHEMBL560812 0.77
SCHEMBL29506108 0.77
SCHEMBL29581892 0.76 GABRA1 (0.41) TAAR1IDO1GABRA1GABRB2
SCHEMBL12971446 0.76 AHR (0.31)
SCHEMBL19657170 0.76 GABRA1 (0.41) TAAR1IDO1GABRA1GABRB2
SCHEMBL808852 0.75 TAAR1 (0.50) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 WO disclosed
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors Oxford Drug Design Limited (GB) 2021-07-27 US disclosed
EP-3679045-A1 CYTOTOXIC AGENTS Femtogenix Limited (GB) 2020-07-15 EP disclosed
WO-2019043417-A1 CYTOTOXIC AGENTS FEMTOGENIX LIMITED (GB) 2019-03-07 WO disclosed
US-20180022696-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS THE LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-01-25 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 TAAR1 492/4885IDO1 2950/4885GABRA1 598/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 TAAR1 492/4885IDO1 2950/4885GABRA1 598/4885
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 TAAR1 872/4885IDO1 1057/4885GABRA1 2492/4885
US-20180022696-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS AARS1, GARS1, ASNS TAAR1 2837/4885IDO1 1384/4885GABRA1 2776/4885
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors AARS1, ASNS, GARS1 TAAR1 2952/4885IDO1 1399/4885GABRA1 2729/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 TAAR1 872/4885IDO1 1057/4885GABRA1 2492/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 TAAR1 887/4885IDO1 1066/4885GABRA1 2506/4885

“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.