SCHEMBL6785285

SCHEMBL6785285

COc1ccc(Cc2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BACE1 P56817 1/20 0.44
TXNRD1 Q16881 1/20 0.44
CYP19A1 P11511 1/20 0.44
LTA4H P09960 1/20 0.44
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL27918314 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4TXNRD1
SCHEMBL1646241 0.85 NPC1 (0.58) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1161468 0.85 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL30766429 0.85 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL12113552 0.82 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10477862 0.82 MEN1 (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6782825 0.81 TSHR (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6782367 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28095926 0.80 MAPT (0.49) ALDH1A1MAPTTXNRD1LTA4HKMT2A
SCHEMBL15670846 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG ALDH1A1 3069/4885MAPT 4264/4885KDM4E 1349/4885

“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.