SCHEMBL7128296

SCHEMBL7128296

Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
MCL1 Q07820 1/20 0.77
MMP13 P45452 2/20 0.72
SCD O00767 3/20 0.71
DYRK1A Q13627 1/20 0.70
KMT2A Q03164 4/20 0.66
MAPT P10636 5/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 3/20 0.64
POLB P06746 2/20 0.64
STAT1 P42224 1/20 0.64
RXFP1 Q9HBX9 1/20 0.63
MAP3K5 Q99683 1/20 0.63
NOD2 Q9HC29 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61

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
SCHEMBL14807297 0.91 SCD (0.71) NPC1RAB9AMCL1MMP13SCD
SCHEMBL16562175 0.89 NPC1 (0.79) NPC1RAB9AMCL1MMP13SCD
SCHEMBL4909703 0.89 NPC1 (0.71) NPC1RAB9AMCL1MMP13SCD
SCHEMBL26034899 0.88 NPC1 (0.77) NPC1RAB9AMCL1MMP13SCD
SCHEMBL2187627 0.88 NPC1 (0.80) NPC1RAB9AMCL1MMP13SCD
SCHEMBL23926499 0.88 SCD (0.88) NPC1RAB9AMCL1MMP13SCD
SCHEMBL2191669 0.87 NPC1 (1.00) NPC1RAB9AMCL1MMP13SCD
SCHEMBL23926524 0.87 NPC1 (0.71) NPC1RAB9AMCL1MMP13SCD
SCHEMBL31219313 0.87 NPC1 (0.71) NPC1RAB9AMCL1MMP13SCD
SCHEMBL12095405 0.86 NPC1 (0.78) NPC1RAB9AMCL1MMP13SCD

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-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD NPC1 1152/4885RAB9A 1179/4885MCL1 981/4885

“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.