SCHEMBL4716703

SCHEMBL4716703

COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
RHEB Q15382 3/20 0.53
NPBWR1 P48145 4/20 0.50
CHEK2 O96017 2/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT1 P42224 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL7365686 0.84 AMY1A (0.56) MAPTNPC1RAB9ARHEBNPBWR1
SCHEMBL28481902 0.83 MMP2 (0.59) MAPTNPC1RAB9ANPBWR1HTT
SCHEMBL6502402 0.79 RHEB (0.55) MAPTNPC1RAB9ARHEBCHEK2
SCHEMBL6327841 0.77 NPC1 (0.72) MAPTNPC1RAB9ARHEBNPBWR1
SCHEMBL31474746 0.77 NPC1 (0.72) MAPTNPC1RAB9ARHEBNPBWR1
SCHEMBL6502848 0.77 RHEB (0.59) RHEBCHEK2AMY1AALOX5EPHX2
SCHEMBL4717804 0.76 PDGFRB (0.51) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL23945280 0.75 SIRT6 (0.54) MAPTNPC1RAB9ANPBWR1SMN1; SMN2
SCHEMBL21642885 0.75 ALOX5 (0.56) MAPTNPC1RAB9ARHEBCHEK2
SCHEMBL7366548 0.75 NPC1 (0.51) MAPTNPC1RAB9ARHEBNPBWR1

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
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP claimed
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 MAPT 4865/4885NPC1 868/4885RAB9A 4162/4885

“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.