SCHEMBL1663659

SCHEMBL1663659

Cc1cc([N+](=O)[O-])cnc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 2/20 0.42
IDO1 P14902 1/20 0.41
GPR35 Q9HC97 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14668360 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1GAACYP3A4
SCHEMBL31481293 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTDP1HTTIDO1
SCHEMBL29052741 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTDP1GAACYP3A4
SCHEMBL501874 0.78 ALDH1A1 (0.47) ALDH1A1TSHRTDP1GAAHTT
SCHEMBL20569282 0.77 ALDH1A1 (0.65) ALDH1A1TSHRHTTIDO1MAPT
SCHEMBL29455943 0.77 ALDH1A1 (0.65) ALDH1A1TSHRHTTIDO1MAPT
SCHEMBL29606539 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1GAAHTT
SCHEMBL3942261 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1GAAHTT
SCHEMBL5486739 0.76 KDM4E (0.51) ALDH1A1IDO1MAPTNPSR1HSP90AA1
SCHEMBL12065144 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTDP1GAAHTT

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 7 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
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 ALDH1A1 2499/4885TSHR 1108/4885TDP1 3621/4885

“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.