SCHEMBL4500668

SCHEMBL4500668

CC(C)(C)OC(=O)NCCSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
BRD4 O60885 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL24669238 0.83 MAPT (0.53) POLBPPARGPPARAMAPTNPSR1
SCHEMBL4492921 0.82 CYP1A2 (0.54) CYP2C19POLBRXFP1MAPTNPC1
SCHEMBL10233481 0.81 CA12 (0.48) CYP2C19POLBBRD4MAPTNPC1
SCHEMBL5200935 0.81 PKM (0.52) POLBRXFP1MAPTNPC1PKM
SCHEMBL10270154 0.80 CA12 (0.40) MAPTGAACA12CA1CA2
SCHEMBL16980508 0.80 CA12 (0.49) CYP2C19POLBBRD4MAPTCYP1A2
SCHEMBL31294842 0.79 CA12 (0.50) CYP2C19POLBBRD4MAPTMEN1
SCHEMBL31455662 0.79 CYP2C19 (0.51) CYP2C19BRD4PPARGPPARAMAPT
SCHEMBL4500672 0.79 PKM (0.49) CYP2C19POLBRXFP1PPARGPPARA
SCHEMBL10270729 0.78 ALDH1A1 (0.43) BRD4MAPTALDH1A1MEN1KMT2A

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 5 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-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 CYP2C19 385/4885POLB 4066/4885RXFP1 2390/4885

“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.