SCHEMBL4500672

SCHEMBL4500672

CC(NC(=O)OC(C)(C)C)Sc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
CYP2C19 P33261 2/20 0.48
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL4492923 0.82 PKM (0.55) PKMCYP2C19NPC1MAPTNPSR1
SCHEMBL4500668 0.79 CYP2C19 (0.48) PKMCYP2C19PPARGPPARANPC1
SCHEMBL4974416 0.77 KDM4E (0.54) PKMNPC1MAPTNPSR1CYP1A2
SCHEMBL115820 0.75 CYP1A2 (0.65) CYP2C19NPC1MAPTCYP1A2GAA
SCHEMBL27859334 0.74 CYP2C19 (0.44) CYP2C19PPARGPPARANPC1MAPT
SCHEMBL2983425 0.74 PPARA (0.54) CYP2C19PPARGPPARAGSTP1GSTM2
SCHEMBL2983423 0.74 PPARA (0.54) CYP2C19PPARGPPARAGSTP1GSTM2
SCHEMBL27589045 0.74 PPARA (0.54) CYP2C19PPARGPPARAGSTP1GSTM2
SCHEMBL30102053 0.73 RAB9A (0.54) PKMCYP2C19NPC1MAPTCYP1A2
SCHEMBL28966351 0.73 RAB9A (0.54) PKMCYP2C19NPC1MAPTCYP1A2

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-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 PKM 2002/4885CYP2C19 385/4885PPARG 1805/4885

“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.