SCHEMBL450688

SCHEMBL450688

COc1ccc(-n2c(C(C)N(C)C(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(C)cc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.43
CXCR3 P49682 2/20 0.43
PDE10A Q9Y233 2/20 0.42
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PNP P00491 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL454240 0.94 CXCR3 (0.44) HPDCXCR3PDE10AALDH1A1
SCHEMBL451240 0.93 PDE10A (0.49) HPDCXCR3PDE10AALDH1A1RAB9A
SCHEMBL453876 0.91 PDE10A (0.50) HPDCXCR3PDE10A
SCHEMBL1552961 0.89 CXCR3 (0.54) CXCR3PDE10AALDH1A1RAB9ANPSR1
SCHEMBL448951 0.86 MAPT (0.46) HPDCXCR3
SCHEMBL454229 0.86 PDE10A (0.50) CXCR3PDE10A
SCHEMBL452391 0.84 CXCR3 (0.52) CXCR3PDE10AALDH1A1
SCHEMBL451808 0.84 SMN1; SMN2 (0.45) HPDCXCR3ALDH1A1
SCHEMBL454697 0.83 CXCR3 (0.41) CXCR3PDE10AALDH1A1ADORA3
SCHEMBL453150 0.83 CXCR3 (0.41) CXCR3PDE10AALDH1A1

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-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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US 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 (2 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HPD 3916/4885CXCR3 741/4885PDE10A 1893/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HPD 3916/4885CXCR3 741/4885PDE10A 1893/4885

“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.