SCHEMBL451680

SCHEMBL451680

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.41
CASR P41180 1/20 0.39
HSD11B1 P28845 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
HPD P32754 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL449395 0.96 ALDH1A1 (0.39) CXCR3CASRHRH3KCNH2HPD
SCHEMBL450958 0.94 CXCR3 (0.40) CXCR3HRH3KCNH2HPDPDE10A
SCHEMBL449219 0.93 PDE10A (0.46) CXCR3PDE10A
SCHEMBL451205 0.91 CXCR3 (0.50) CXCR3PDE10AALDH1A1
SCHEMBL448345 0.91 ALDH1A1 (0.43) CXCR3CASRHPDALDH1A1
SCHEMBL451709 0.91 HSD11B1 (0.42) CXCR3HSD11B1HRH3KCNH2ALDH1A1
SCHEMBL452066 0.89 CXCR3 (0.42) CXCR3HRH3KCNH2HPDPDE10A
SCHEMBL451989 0.89 ALDH1A1 (0.40) CXCR3ALDH1A1
SCHEMBL453928 0.89 CXCR3 (0.40) CXCR3HPDPDE10AALDH1A1
SCHEMBL451445 0.89 PDE10A (0.45) CXCR3HSD11B1HRH3KCNH2PDE10A

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 8 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
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 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-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 741/4885CASR 960/4885HSD11B1 409/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885CASR 960/4885HSD11B1 409/4885

“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.