SCHEMBL1663288

SCHEMBL1663288

O=C(Nc1ccc(Cl)cc1)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
MAPT P10636 2/20 0.57
P2RX1 P51575 3/20 0.56
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
KDR P35968 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLCG2 P16885 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 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
SCHEMBL9191303 0.86 SMN1; SMN2 (0.56) MAPTP2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL10244784 0.84 MEN1 (0.60) MAPTP2RX1FLT1FLT4KDR
SCHEMBL1662861 0.82 NPC1 (0.58) MAPTCYP1A2CYP3A4CYP2C19POLB
SCHEMBL30236947 0.81 MAPT (0.78) MAPTP2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL5226448 0.81 MAPT (0.78) MAPTP2RX1CYP1A2CYP3A4CYP2C19
SCHEMBL6591721 0.81 P2RX1 (0.64) KCNMA1MAPTP2RX1ALDH1A1SMN1; SMN2
SCHEMBL10246421 0.81 MEN1 (0.59) MAPTPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL14447126 0.80 APP (0.70) KCNMA1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3606953 0.79 SMN1; SMN2 (0.60) MAPTPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL8055067 0.78 RAB9A (0.60) KCNMA1MAPTP2RX1POLBALDH1A1

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-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
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN 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 KCNMA1 485/4885MAPT 2714/4885P2RX1 30/4885

“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.