SCHEMBL4717804

SCHEMBL4717804

COc1ccc(-c2nc3cccnc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPT P10636 8/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GRK6 P43250 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GUSB P08236 2/20 0.45
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 2/20 0.44

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
SCHEMBL7020557 0.92 PDGFRB (0.44) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL28481902 0.82 MMP2 (0.59) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL6757259 0.80 GUSB (0.46) PDGFRBPDGFRAALDH1A1SMN1; SMN2KDM4E
SCHEMBL6283130 0.80 KDM4E (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6283126 0.77 PARP1 (0.52) ALDH1A1KDM4EGUSBHPGDCYP1A1
SCHEMBL221110 0.76 MMP2 (0.63) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4716703 0.76 MAPT (0.53) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL6286122 0.76 CDK4 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7395145 0.75 GUSB (0.47) ALDH1A1KDM4EGUSBHPGDCYP1A1
SCHEMBL22291215 0.74 AMY1A (0.54) MAPTTP53

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-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B PDGFRB 2622/4885PDGFRA 2255/4885MAPT 4625/4885

“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.