SCHEMBL1664018

SCHEMBL1664018

COc1cc(OC)c2c(=O)n(-c3ccc(Cl)cc3)c(C(C)C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
EGFR P00533 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
AMY1A P0DUB6 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL14176447 0.92 ESR1 (0.52) ESR1ESR2PDE3BPDE3ASMN1; SMN2
SCHEMBL1665818 0.84 SMN1; SMN2 (0.47) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1663939 0.77 ESR1 (0.49) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL5117114 0.76 HRH3 (0.50) ESR1ESR2PDE3BPDE3ASMN1; SMN2
SCHEMBL1662878 0.75 ESR2 (0.84) ESR1ESR2TRPV1
SCHEMBL14176449 0.75 DRD1 (0.54) PDE3BPDE3ACYP1A2CYP3A4
SCHEMBL5120987 0.75 PDE3B (0.45) EGFRPDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL14176442 0.75 PDE3B (0.45) ESR1ESR2PDE3BPDE3AMAPT
SCHEMBL14176444 0.73 ESR1 (0.52) ESR1ESR2PDE3BPDE3ASMN1; SMN2
SCHEMBL5127283 0.73 LMNA (0.61) PDE3BPDE3AMAPTCYP3A4LMNA

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 9 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
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
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 ESR1 1321/4885ESR2 2159/4885EGFR 2121/4885

“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.