SCHEMBL452652

SCHEMBL452652

COc1ccc(-n2c(C(C)N(C)C(=O)c3ccc(C(C)(C)C)cc3)nc3cccc(OC)c3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.41
PDE10A Q9Y233 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL453150 0.92 CXCR3 (0.41) CXCR3PDE10AMAPTMEN1HTT
SCHEMBL1552961 0.87 CXCR3 (0.54) CXCR3PDE10AMEN1KMT2AALDH1A1
SCHEMBL451459 0.86 CXCR3 (0.41) CXCR3PDE10AMAPTHTTHRH3
SCHEMBL452955 0.84 SMN1; SMN2 (0.43) CXCR3MAPTMEN1HTTKMT2A
SCHEMBL454240 0.83 CXCR3 (0.44) CXCR3PDE10AHTTKDM4EALDH1A1
SCHEMBL452097 0.83 HRH3 (0.39) CXCR3PDE10AMAPTMEN1HTT
SCHEMBL453876 0.82 PDE10A (0.50) CXCR3PDE10AGPR139
SCHEMBL450688 0.81 HPD (0.43) CXCR3PDE10AALDH1A1
SCHEMBL454697 0.81 CXCR3 (0.41) CXCR3PDE10AMAPTHTTHRH3
SCHEMBL451240 0.81 PDE10A (0.49) CXCR3PDE10AMAPTGPR139KDM4E

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 CXCR3 741/4885PDE10A 1893/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PDE10A 1893/4885MAPT 4075/4885

“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.