SCHEMBL451207

SCHEMBL451207

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.44
ALDH1A1 P00352 2/20 0.39
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
KEAP1 Q14145 1/20 0.38
NOX4 Q9NPH5 2/20 0.38
MMP1 P03956 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 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
SCHEMBL452922 0.93 KEAP1 (0.43) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL451913 0.92 KEAP1 (0.39) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL447769 0.91 ALDH1A1 (0.44) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL453964 0.89 GPR139 (0.41) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL452865 0.88 ALDH1A1 (0.46) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL453148 0.87 CXCR3 (0.44) CXCR3ALDH1A1MMP9MMP2NOX4
SCHEMBL453724 0.85 CXCR3 (0.44) CXCR3ALDH1A1KEAP1MMP1MMP13
SCHEMBL450121 0.84 HRH3 (0.39) CXCR3ALDH1A1KEAP1KCNH2HRH3
SCHEMBL450456 0.83 NPBWR1 (0.38) CXCR3ALDH1A1KEAP1KCNH2HRH3
SCHEMBL452241 0.83 CXCR3 (0.46) CXCR3ALDH1A1RAB9ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 741/4885ALDH1A1 3161/4885MMP9 4796/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ALDH1A1 3161/4885MMP9 4796/4885

“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.