SCHEMBL454697

SCHEMBL454697

COc1ccc(-n2c(C(C)N(C)C(=O)c3ccc(C(C)(C)C)cc3)nc3c(C)cccc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.41
GPR139 Q6DWJ6 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RORC P51449 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE10A Q9Y233 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CG P48736 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL451459 0.92 CXCR3 (0.41) CXCR3GPR139ALDH1A1KCNH2HRH3
SCHEMBL452101 0.91 CXCR3 (0.41) CXCR3GPR139ALDH1A1KCNH2HRH3
SCHEMBL1552961 0.87 CXCR3 (0.54) CXCR3ALDH1A1LMNAADORA3PDE10A
SCHEMBL453150 0.86 CXCR3 (0.41) CXCR3GPR139ALDH1A1KCNH2HRH3
SCHEMBL454240 0.83 CXCR3 (0.44) CXCR3ALDH1A1RORCKDM4EHTT
SCHEMBL450688 0.83 HPD (0.43) CXCR3ALDH1A1ADORA3PDE10A
SCHEMBL451240 0.83 PDE10A (0.49) CXCR3GPR139ALDH1A1KDM4EMAPT
SCHEMBL451913 0.83 KEAP1 (0.39) CXCR3GPR139ALDH1A1KCNH2HRH3
SCHEMBL448342 0.83 SMN1; SMN2 (0.44) CXCR3ALDH1A1KDM4EHTTMAPT
SCHEMBL452652 0.81 CXCR3 (0.41) CXCR3GPR139ALDH1A1KCNH2HRH3

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 741/4885GPR139 546/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885GPR139 546/4885ALDH1A1 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.