SCHEMBL17290233

SCHEMBL17290233

C/C(=N\OCc1ccccc1)C1(Br)C(=O)N(C)N=C1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.35
PPARA Q07869 6/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GHSR Q92847 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.31
S1PR1 P21453 1/20 0.31
CA12 O43570 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31

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
SCHEMBL17290234 1.00 PPARG (0.35) PPARGPPARALMNAALDH1A1GHSR
SCHEMBL17290950 0.85 LMNA (0.36) PPARGPPARALMNAALDH1A1NPC1
SCHEMBL17290949 0.85 LMNA (0.36) PPARGPPARALMNAALDH1A1NPC1
SCHEMBL17291054 0.83 BACE1 (0.33) ALDH1A1
SCHEMBL17290875 0.83 GHSR (0.35) PPARGPPARALMNAALDH1A1GHSR
SCHEMBL17290872 0.83 GHSR (0.35) PPARGPPARALMNAALDH1A1GHSR
SCHEMBL17290961 0.74 HTR2C (0.33) PPARGPPARAL3MBTL1
SCHEMBL17290407 0.72 S1PR1 (0.35) PPARGPPARALMNAALDH1A1GHSR
SCHEMBL17290403 0.72 S1PR1 (0.35) PPARGPPARALMNAALDH1A1GHSR
SCHEMBL17290443 0.71 LOX (0.36) LMNAALDH1A1SMN1; SMN2L3MBTL1GRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 PPARG 227/4885PPARA 377/4885LMNA 2480/4885

“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.