SCHEMBL1665799

SCHEMBL1665799

COc1cc(OC)c(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 2/20 0.45
G6PD P11413 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2900800 0.84 TPMT (0.59) MAPTALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL11503095 0.83 MAPT (0.46) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL3769042 0.83 MAPT (0.49) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL25863234 0.83 TTR (0.48) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL466144 0.80 CYP3A4 (0.60) MAPTKDM4EMAPK1SMN1; SMN2USP2
SCHEMBL2897295 0.80 TPMT (0.51) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5963109 0.77 PKM (0.59) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL2591957 0.76 MAPK1 (0.50) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL3600729 0.75 CA12 (0.65) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8458580 0.75 MAPT (0.49) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 MAPT 2714/4885KDM4E 2742/4885ALDH1A1 2499/4885

“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.