Sugi Predict

Sugi Predict / Compounds / SCHEMBL658249

SCHEMBL658249

SCHEMBL658249

O=Cc1c(F)ccc(Br)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2D6 P10635 1/20 0.38
▸ ERN1 O75460 3/20 0.36
▸ MAOB P27338 1/20 0.33
▸ VCP P55072 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ KDM1B Q8NB78 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL29471351 1.00 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL1418396 0.86 ERN1 (0.42) ERN1KDM1AKCNH2KDM1BMEN1
SCHEMBL29504018 0.86 ERN1 (0.42) ERN1KDM1AKCNH2KDM1BMEN1
SCHEMBL30826192 0.82 ERN1 (0.36) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL31438987 0.82 ERN1 (0.40) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL1013026 0.82 ERN1 (0.40) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL415893 0.80 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL31685229 0.80 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL23832846 0.78 MEN1 (0.37) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL276448 0.78 ERN1 (0.44) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744358-A Pyridine formylhydrazine compounds with insecticidal activity and preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-07-01 — — CN claimed
US-12612380-B2 Non-lysosomal glucosylceramidase inhibitors and uses thereof ALECTOS THERAPEUTICS 1NC (CA) 2026-04-28 — — US disclosed
EP-3966199-B1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC (CA) 2026-03-18 — — EP disclosed
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 — — US disclosed
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 — — US disclosed
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 — — US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 — — EP disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 — — US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 — — US disclosed
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 — — EP disclosed
EP-1313707-B1 QUINOLINE DERIVATIVES AS ANTI-INFLAMMATION AGENTS HOFFMANN LA ROCHE (CH) 2007-07-18 — — EP disclosed
US-7186840-B2 Quinoline derivatives as anti-inflammatory agents ROCHE PALO ALTO LLC (US) 2007-03-06 — — US disclosed
US-7049325-B2 Quinoline derivatives as anti-inflammatory agents SYNTEX (U.S.A.) LLC (US) 2006-05-23 — — US disclosed
US-20060084677-A1 Quinoline derivatives as anti-inflammatory agents BROKA CHRIS A 2006-04-20 — — US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 — — US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 — — EP disclosed
EP-1313707-A1 QUINOLINE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 — — EP disclosed
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents SNYTEX (U.S.A.) LLC 2002-06-27 — — US disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 — — WO disclosed
WO-2002012192-A1 QUINOLENE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 — — 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 (9 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 CYP2C9 447/4885CYP3A4 720/4885CYP2C19 668/4885
US-20060084677-A1 Quinoline derivatives as anti-inflammatory agents NR5A2, PTGER4, IL5 CYP2C9 213/4885CYP3A4 23/4885CYP2C19 371/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CYP2C9 4396/4885CYP3A4 3824/4885CYP2C19 4452/4885
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents CNR1, CNR2, PTGER4 CYP2C9 117/4885CYP3A4 5/4885CYP2C19 233/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CYP2C9 4396/4885CYP3A4 3824/4885CYP2C19 4452/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 CYP2C9 4865/4885CYP3A4 4633/4885CYP2C19 4869/4885
US-12612380-B2 Non-lysosomal glucosylceramidase inhibitors and uses thereof GBA1, GBA2, MAN2B1 CYP2C9 2633/4885CYP3A4 2295/4885CYP2C19 3007/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 CYP2C9 11/4885CYP3A4 45/4885CYP2C19 12/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 CYP2C9 872/4885CYP3A4 963/4885CYP2C19 1094/4885

“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.