SCHEMBL14923723

SCHEMBL14923723

C=C(C)CC(OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL14909373 0.89 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14909372 0.89 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14910278 0.87 PPARG (0.49) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14910275 0.87 PPARG (0.49) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL15611013 0.86 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL15611016 0.86 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14910594 0.85 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL16165408 0.85 PPARG (0.48) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14910641 0.84 PPARG (0.46) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL14910639 0.84 PPARG (0.46) PPARGPPARAADRB2ADRB1ADRB3

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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PPARG 1641/4885PPARA 1239/4885ADRB2 1774/4885

“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.