SCHEMBL1194575

SCHEMBL1194575

Fc1cc(Br)cc(C(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL27083571 0.84 DAO (0.33) IDO1TDO2
SCHEMBL23528853 0.84 DAO (0.33) IDO1TDO2
SCHEMBL17196435 0.81 CHRNB4 (0.34) CHRNB4CHRNA3
SCHEMBL12263051 0.78 GABRA1 (0.38) CHRNB4CHRNA3IDO1TDO2
SCHEMBL4059893 0.78 CHRNB4 (0.39) CHRNB4CHRNA3IDO1TDO2
SCHEMBL3592509 0.76 CHRNB4 (0.34) CHRNB4CHRNA3
SCHEMBL29988864 0.76 CHRNB4 (0.34) CHRNB4CHRNA3
SCHEMBL1006029 0.75 GBA1 (0.36) CHRNB4CHRNA3IDO1TDO2
SCHEMBL20764748 0.75 CES2 (0.35) CHRNB4CHRNA3CES2CES1
SCHEMBL28989624 0.75 GABRA1 (0.35) CHRNB4CHRNA3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164835-A2 PROCESS FOR PREPARING TRIAZOLONES F. Hoffmann-Roche AG (CH) 2010-03-24 EP claimed
CN-101679320-A Process for preparing triazolones HOFFMANN LA ROCHE 2010-03-24 CN claimed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 US claimed
WO-2008145563-A2 PROCESS FOR PREPARING TRIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO claimed
US-12552826-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
EP-4635944-A1 2-AZABICYCLO[3.1.1]HEPTANE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-10-22 EP disclosed
EP-4619386-A1 ARYL THIOETHERS AS HIF-2ALPHA INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-09-24 EP disclosed
US-12384778-B2 Pyrazolopyridine compounds and uses thereof INCYTE CORPORATION (US) 2025-08-12 US disclosed
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
WO-2025040546-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-02-27 WO disclosed
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed
US-20240287059-A1 PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2024-08-29 US disclosed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 US disclosed
CN-1312151-C (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2007-04-25 CN disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 US disclosed
CN-1653062-A (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-12384778-B2 Pyrazolopyridine compounds and uses thereof PDXK, PCK1, PGK1 CHRNB4 3315/4885CHRNA3 3233/4885IDO1 4276/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C CHRNB4 47/4885CHRNA3 57/4885IDO1 1496/4885
US-12552826-B2 PRMT5 inhibitors PRMT5, PRMT6, PRMT1 CHRNB4 2004/4885CHRNA3 1655/4885IDO1 3073/4885
US-20240287059-A1 PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PGK1 CHRNB4 3315/4885CHRNA3 3233/4885IDO1 4276/4885
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes POLRMT, TYMS, POLR1G CHRNB4 4186/4885CHRNA3 4475/4885IDO1 1116/4885

“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.