SCHEMBL449633

SCHEMBL449633

CC(c1nc2ccccc2c(=O)n1-c1ccc(OCc2ccccc2)cc1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 18/20 0.54
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL451582 0.92 CXCR3 (0.50) CXCR3KCNH2HRH3PDE10A
SCHEMBL452089 0.91 CXCR3 (0.49) CXCR3KCNH2HRH3
SCHEMBL448644 0.88 CXCR3 (0.50) CXCR3PDE10A
SCHEMBL451421 0.86 CXCR3 (0.50) CXCR3
SCHEMBL455183 0.86 CXCR3 (0.54) CXCR3KCNH2HRH3
SCHEMBL450680 0.85 CXCR3 (0.49) CXCR3PDE10A
SCHEMBL453684 0.85 CXCR3 (0.59) CXCR3
SCHEMBL451676 0.85 CXCR3 (0.49) CXCR3PDE10A
SCHEMBL451745 0.85 CXCR3 (0.55) CXCR3PDE10A
SCHEMBL451971 0.84 CXCR3 (0.47) CXCR3PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 741/4885KCNH2 4581/4885HRH3 886/4885

“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.