SCHEMBL29981698

SCHEMBL29981698

Cc1cc(Br)cnc1-n1cnn(C/C(=C\F)CNC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.37
▸ PPARD Q03181 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ RORC P51449 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
SCHEMBL29981387 1.00 AAK1 (0.37) AAK1PPARDPPARAPPARGALDH1A1
SCHEMBL28479551 1.00 AAK1 (0.37) AAK1PPARDPPARAPPARGALDH1A1
SCHEMBL28481578 1.00 AAK1 (0.37) AAK1PPARDPPARAPPARGALDH1A1
SCHEMBL28479552 1.00 AAK1 (0.37) AAK1PPARDPPARAPPARGALDH1A1
SCHEMBL29092342 0.91 AAK1 (0.32) AAK1PPARDPPARAPPARG
SCHEMBL29092270 0.91 AAK1 (0.32) AAK1PPARDPPARAPPARG
SCHEMBL29092269 0.91 AAK1 (0.32) AAK1PPARDPPARAPPARG
SCHEMBL29981385 0.91 AAK1 (0.32) AAK1PPARDPPARAPPARG
SCHEMBL29981944 0.91 AAK1 (0.32) AAK1PPARDPPARAPPARG
SCHEMBL21382226 0.88 PPARD (0.35) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AAK1 540/4885PPARD 97/4885PPARA 57/4885

“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.

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