SCHEMBL17099993

SCHEMBL17099993

FC(F)(F)COc1ccc(Br)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
SCN5A Q14524 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 1/20 0.39
GPR3 P46089 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL29700311 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCHRNB2CHRNA4SCN5A
SCHEMBL19767065 0.85 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL15918726 0.85 CHRNB2 (0.42) CHRNB2CHRNA4KCNH2
SCHEMBL15670010 0.85 CHRNB2 (0.39) MAPTCHRNB2CHRNA4SCN5A
SCHEMBL20626873 0.82 CHRNB2 (0.40) ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL15670386 0.82 HTT (0.43) ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL15901127 0.81 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL506395 0.78 ALDH1A1 (0.39) ALDH1A1MAPTSCN5AKDM4ECACNA1G
SCHEMBL16331935 0.78 MCHR1 (0.46) CHRNB2CHRNA4
SCHEMBL30946567 0.78 MCHR1 (0.46) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
WO-2025125666-A1 SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO disclosed
EP-3947358-B1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-18 EP disclosed
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2025-05-22 US disclosed
US-12281095-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2025-04-22 US disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20240228446-A1 PREPARATION METHOD FOR BICYCLIC COMPOUND AND APPLICATION AS ANTIFUNGAL AGENT SHANGHAI JEMINCARE PHARMACEUTICAL CO., LTD (CN) 2024-07-11 US disclosed
EP-4397308-A2 COMPOUNDS AND THEIR METHODS OFUSE Praxis Precision Medicines, Inc. (US) 2024-07-10 EP disclosed
US-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. 2017-06-08 US disclosed
EP-3131399-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-02-22 EP disclosed
EP-3119756-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION Viamet Pharmaceuticals, Inc. (US) 2017-01-25 EP disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 WO disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 US disclosed
WO-2015143192-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
WO-2015143192-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 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 (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-20240228446-A1 PREPARATION METHOD FOR BICYCLIC COMPOUND AND APPLICATION AS ANTIFUNGAL AGENT ERG28, CYP51A1, DPM1 ALDH1A1 2977/4885MAPT 1474/4885CHRNB2 4866/4885
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B ALDH1A1 916/4885MAPT 670/4885CHRNB2 156/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E ALDH1A1 138/4885MAPT 4849/4885CHRNB2 1925/4885
US-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION PDXK, PFKFB1, PDGFRA ALDH1A1 476/4885MAPT 2198/4885CHRNB2 2575/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ALDH1A1 180/4885MAPT 3003/4885CHRNB2 3635/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 ALDH1A1 326/4885MAPT 4509/4885CHRNB2 3476/4885
US-12281095-B2 Pesticidally active diazine-amide compounds DDT, ACHE, NIT2 ALDH1A1 787/4885MAPT 674/4885CHRNB2 404/4885

“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.