SCHEMBL4494657

SCHEMBL4494657

CC(=O)NC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 6/20 0.49
KMT2A Q03164 4/20 0.49
HSP90AA1 P07900 2/20 0.49
CXCR5 P32302 2/20 0.49
APLNR P35414 2/20 0.49
CCR6 P51684 2/20 0.49
GFER P55789 1/20 0.49
AGTR1 P30556 1/20 0.47
CYP2C19 P33261 2/20 0.43
MAPT P10636 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4976522 0.80 KMT2A (0.59) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL5200175 0.76 KMT2A (0.49) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL4492923 0.73 PKM (0.55) CYP1A2GAARAB9AKMT2ACYP2C19
SCHEMBL4494656 0.73 CYP1A2 (0.50) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL30184492 0.72 KMT2A (0.64) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL1492528 0.72 KMT2A (0.64) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL3472671 0.72 AGTR1 (0.61) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL4494542 0.69 AGTR1 (0.48) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL4494550 0.69 AGTR1 (0.48) CYP1A2GAARAB9AKMT2AHSP90AA1
SCHEMBL1134371 0.69 AGTR1 (0.61) CYP1A2GAARAB9AKMT2AHSP90AA1

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 CYP1A2 416/4885GAA 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.