SCHEMBL448696

SCHEMBL448696

CC(NCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2c(=O)n1-c1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
CXCR3 P49682 8/20 0.39
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B2 P37059 1/20 0.36
GBA1 P04062 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
SCHEMBL451929 0.93 POLB (0.42) PDE10ACXCR3
SCHEMBL454415 0.93 MAPK1 (0.46) PDE10ACXCR3MAPK1
SCHEMBL448445 0.91 ALDH1A1 (0.37) CXCR3
SCHEMBL452941 0.91 MAPK1 (0.48) CXCR3MAPK1
SCHEMBL452827 0.88 POLB (0.49) PDE10ACXCR3PDE7APDE7BMAPK1
SCHEMBL451872 0.85 PI4KA (0.38)
SCHEMBL453929 0.84 PTGES (0.39) PDE10A
SCHEMBL448697 0.83 CXCR3 (0.45) PDE10ACXCR3MAPK1
SCHEMBL448993 0.81 POLB (0.39)
SCHEMBL450875 0.79 CXCR3 (0.43) CXCR3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE10A 1893/4885CXCR3 741/4885PDE7A 227/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885CXCR3 741/4885PDE7A 227/4885

“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.