SCHEMBL4493818

SCHEMBL4493818

O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PPARD Q03181 8/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
STAT3 P40763 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4499968 0.82 ALDH1A1 (0.43) L3MBTL1MEN1KMT2ASTAT3MAPT
SCHEMBL4494656 0.78 CYP1A2 (0.50) PPARDMEN1KMT2AMAPTMAPK1
SCHEMBL5016607 0.74 ALDH1A1 (0.65) L3MBTL1MEN1KMT2ASTAT3MAPT
SCHEMBL4497526 0.72 CYP2C19 (0.45) PPARDKMT2AMAPTLMNAALDH1A1
SCHEMBL5651517 0.72 STAT3 (0.61) MEN1KMT2ASTAT3MAPTLMNA
SCHEMBL13713054 0.71 AGTR1 (0.54) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL26674959 0.70 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL4502305 0.70 PKM (0.47) L3MBTL1PPARDMEN1KMT2AMAPT
SCHEMBL4493011 0.70 AGTR1 (0.51) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL4497374 0.69 POLB (0.43) MEN1KMT2AMAPTLMNAMAPK1

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 6 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
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 L3MBTL1 4496/4885PPARD 1789/4885MEN1 2848/4885

“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.