SCHEMBL1553112

SCHEMBL1553112

COc1ccc(-n2c(C(C)C(N)=O)nc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.56
ALDH1A1 P00352 2/20 0.47
GRM2 Q14416 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GPR139 Q6DWJ6 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1552456 0.92 ALDH1A1 (0.47) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL1553641 0.88 PDE10A (0.57) PDE10AKCNH2HRH3TRPV1CYP3A4
SCHEMBL1552479 0.86 HRH3 (0.47) PDE10AALDH1A1KCNH2HRH3
SCHEMBL4579481 0.86 ALDH1A1 (0.59) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL450631 0.83 PDE10A (0.53) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL1553204 0.82 PDE10A (0.57) PDE10AGPR139
SCHEMBL1554244 0.79 GPR139 (0.46) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL1553687 0.79 GPR139 (0.47) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL1663409 0.78 TRPV1 (0.69) PDE10AALDH1A1RAB9ANPSR1KCNH2
SCHEMBL1553134 0.77 SMN1; SMN2 (0.63) ALDH1A1RAB9A

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
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885ALDH1A1 3161/4885GRM2 262/4885

“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.