SCHEMBL1665818

SCHEMBL1665818

COc1cccc2nc(C(C)C)n(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
KCNH2 Q12809 2/20 0.45
PIK3CD O00329 9/20 0.43
PIK3R1 P27986 7/20 0.43
RAB9A P51151 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1664018 0.84 ESR1 (0.49) SMN1; SMN2ESR1ESR2RAB9ACYP1A2
SCHEMBL15816896 0.80 PIK3CD (0.48) HRH3KCNH2PIK3CDPIK3R1PIK3CG
SCHEMBL15816895 0.80 PIK3CD (0.48) HRH3KCNH2PIK3CDPIK3R1PIK3CG
SCHEMBL451012 0.78 HRH3 (0.47) HRH3KCNH2PIK3CDPIK3R1PIK3R2
SCHEMBL1663939 0.77 ESR1 (0.49) SMN1; SMN2ESR1ESR2TP53MAPT
SCHEMBL1553986 0.77 HRH3 (0.48) HRH3KCNH2PIK3CDPIK3R1PIK3R2
SCHEMBL20061283 0.76 PIK3CD (0.63) PIK3CDPIK3R1PIK3CG
SCHEMBL15812841 0.75 PIK3CD (0.51) PIK3CDPIK3R1PIK3R2PIK3CG
SCHEMBL14176447 0.75 ESR1 (0.52) SMN1; SMN2ESR1ESR2HRH3KCNH2
SCHEMBL449089 0.74 HRH3 (0.40) SMN1; SMN2HRH3KCNH2MAPT

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 SMN1; SMN2 4016/4885ESR1 1321/4885ESR2 2159/4885

“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.