SCHEMBL2820962

SCHEMBL2820962

Cc1ccc(Cn2nc(CO)[nH]c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL3469511 0.86 PPARA (0.48) PPARGPPARDPPARAALDH1A1HTT
SCHEMBL2824781 0.77 PPARG (0.50) PPARGPPARDPPARAALDH1A1HTT
SCHEMBL26202134 0.74 LMNA (0.53) PPARGPPARDPPARAALDH1A1HTT
Ly-518674 SCHEMBL2669568 0.71 PPARA (1.00) PPARGPPARDPPARA
SCHEMBL30166346 0.70 CMA1 (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13739331 0.68 KAT2B (0.48) ALDH1A1HTTSMN1; SMN2MAPTTP53
SCHEMBL2819692 0.68 HSD11B1 (0.44) ALDH1A1HTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3098637 0.68 KMT2A (0.49) ALDH1A1HTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL2822654 0.66 PPARA (0.59) PPARGPPARDPPARAALDH1A1HTT
SCHEMBL7833852 0.66 HPGD (0.53) ALDH1A1HTTMAPTMEN1KMT2A

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
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — 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 (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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885

“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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