SCHEMBL4489584

SCHEMBL4489584

O=C(OCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 3/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CXCR5 P32302 2/20 0.39
APLNR P35414 2/20 0.39
CCR6 P51684 2/20 0.39
GFER P55789 1/20 0.39
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4503359 0.87 AGTR1 (0.44) AGTR1GAARAB9AKMT2ANPC1
SCHEMBL4498141 0.87 HSP90AA1 (0.43) AGTR1RAB9AKMT2AMEN1MAPT
SCHEMBL4493011 0.84 AGTR1 (0.51) AGTR1RAB9AKMT2ANPC1MEN1
SCHEMBL4502723 0.83 PKM (0.47) AGTR1GAARAB9AKMT2ANPC1
SCHEMBL4497374 0.81 POLB (0.43) AGTR1RAB9AKMT2ANPC1MEN1
SCHEMBL4490408 0.79 RAB9A (0.48) AGTR1GAARAB9AKMT2ANPC1
SCHEMBL4502305 0.78 PKM (0.47) AGTR1GAARAB9AKMT2ANPC1
SCHEMBL4485761 0.78 HSP90AA1 (0.60) AGTR1RAB9AKMT2ANPC1MEN1
SCHEMBL4488114 0.78 RAB9A (0.46) AGTR1GAARAB9AKMT2ANPC1
SCHEMBL4499968 0.77 ALDH1A1 (0.43) AGTR1RAB9AKMT2ANPC1MEN1

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 AGTR1 3568/4885GAA 782/4885RAB9A 2557/4885

“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.