SCHEMBL452305

SCHEMBL452305

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 3/20 0.40
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 6/20 0.39
GPR139 Q6DWJ6 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KEAP1 Q14145 1/20 0.38
C1R P00736 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 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
SCHEMBL450632 0.97 ALDH1A1 (0.42) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL448724 0.95 NPBWR1 (0.40) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL452784 0.95 ALDH1A1 (0.44) CXCR3HRH3KCNH2PIK3CDALDH1A1
SCHEMBL451645 0.94 CXCR3 (0.38) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL453148 0.93 CXCR3 (0.44) CXCR3HRH3KCNH2PIK3CDALDH1A1
SCHEMBL452063 0.91 CXCR3 (0.44) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL453479 0.87 PDE10A (0.41) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL449089 0.86 HRH3 (0.40) CXCR3HRH3KCNH2PDE10AALDH1A1
SCHEMBL447897 0.86 ALDH1A1 (0.42) CXCR3HRH3KCNH2PIK3CDPDE10A
SCHEMBL451745 0.85 CXCR3 (0.55) CXCR3PDE10AALDH1A1C1RNPSR1

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 741/4885HRH3 886/4885KCNH2 4581/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885HRH3 886/4885KCNH2 4581/4885

“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.