SCHEMBL451240

SCHEMBL451240

COc1ccc(-n2c(C(C)N(C)C(=O)c3ccc(C(C)(C)C)cc3)nc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.49
CXCR3 P49682 3/20 0.43
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPD P32754 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL450688 0.93 HPD (0.43) PDE10ACXCR3ALDH1A1RAB9ANPSR1
SCHEMBL454229 0.91 PDE10A (0.50) PDE10ACXCR3SMN1; SMN2
SCHEMBL454240 0.89 CXCR3 (0.44) PDE10ACXCR3ALDH1A1HPDKDM4E
SCHEMBL1552961 0.89 CXCR3 (0.54) PDE10ACXCR3ALDH1A1RAB9ANPSR1
SCHEMBL453876 0.86 PDE10A (0.50) PDE10ACXCR3HPDSMN1; SMN2GPR139
SCHEMBL452391 0.84 CXCR3 (0.52) PDE10ACXCR3ALDH1A1SMN1; SMN2MAPK1
SCHEMBL452808 0.84 SMN1; SMN2 (0.47) PDE10ACXCR3ALDH1A1RAB9ANPSR1
SCHEMBL454697 0.83 CXCR3 (0.41) PDE10ACXCR3ALDH1A1ADORA3KDM4E
SCHEMBL453150 0.83 CXCR3 (0.41) PDE10ACXCR3ALDH1A1TDP1KDM4E
SCHEMBL451445 0.83 PDE10A (0.45) PDE10ACXCR3ALDH1A1RAB9ANPSR1

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 PDE10A 1893/4885CXCR3 741/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885CXCR3 741/4885ALDH1A1 3161/4885

“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.