SCHEMBL29092371

SCHEMBL29092371

CC(C)(C)OC(=O)NC/C(=C\F)Cn1ncn(-c2cccc(Br)n2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ ATM Q13315 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
SCHEMBL29092372 1.00 EPHX2 (0.33) EPHX2PPARGPPARDPPARAPCSK9
SCHEMBL22091184 0.86 PCSK9 (0.33) EPHX2PCSK9EGFRRAF1KDR
SCHEMBL21382420 0.86 ALDH1A1 (0.31) PPARGPPARDPPARA
SCHEMBL21382417 0.86 ALDH1A1 (0.31) PPARGPPARDPPARA
SCHEMBL29092886 0.86 PPARG (0.34) PPARGPPARDPPARAPCSK9
SCHEMBL29092887 0.86 PPARG (0.34) PPARGPPARDPPARAPCSK9
SCHEMBL29092715 0.85 — —
SCHEMBL29092716 0.85 — —
SCHEMBL29981877 0.85 — —
SCHEMBL29092331 0.84 PPARD (0.44) PPARGPPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 — — CN disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 — — 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 (1 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-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 EPHX2 4191/4885PPARG 23/4885PPARD 97/4885

“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.

Send feedback