SCHEMBL453724

SCHEMBL453724

CCCCc1ccc(S(=O)(=O)N(C)C(C)c2nc3c(C)cccc3c(=O)n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.44
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
GAA P10253 1/20 0.37
APLNR P35414 1/20 0.37
GRM2 Q14416 1/20 0.36
KEAP1 Q14145 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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 0.91 KEAP1 (0.43) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL447769 0.88 ALDH1A1 (0.44) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL452063 0.87 CXCR3 (0.44) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL453964 0.87 GPR139 (0.41) CXCR3MEN1KMT2AMMP1MMP13
SCHEMBL452865 0.86 ALDH1A1 (0.46) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL451913 0.85 KEAP1 (0.39) CXCR3MEN1KMT2AMMP1MMP13
SCHEMBL451207 0.85 CXCR3 (0.44) CXCR3MMP1MMP13ADAM17KCNH2
SCHEMBL454033 0.84 PDE10A (0.47) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL452610 0.84 CXCR3 (0.46) CXCR3MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL451762 0.79 CXCR3 (0.38) CXCR3MEN1CYP1A2CYP3A4CYP2D6

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 741/4885MEN1 4424/4885CYP1A2 408/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885MEN1 4424/4885CYP1A2 408/4885

“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.