SCHEMBL454415

SCHEMBL454415

CC(NCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2c(=O)n1-c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CXCR3 P49682 6/20 0.43
GFER P55789 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL452941 0.97 MAPK1 (0.48) MAPK1CXCR3GFERMEN1KMT2A
SCHEMBL448696 0.93 PDE10A (0.39) MAPK1CXCR3PDE10A
SCHEMBL452827 0.93 POLB (0.49) MAPK1CXCR3PDE10AMEN1KMT2A
SCHEMBL451929 0.88 POLB (0.42) CXCR3PDE10APOLB
SCHEMBL453929 0.87 PTGES (0.39) PDE10A
SCHEMBL448445 0.84 ALDH1A1 (0.37) CXCR3
SCHEMBL448993 0.82 POLB (0.39) POLB
SCHEMBL450875 0.82 CXCR3 (0.43) MAPK1CXCR3
SCHEMBL454416 0.82 CXCR3 (0.48) MAPK1CXCR3GFERPDE10AMEN1
SCHEMBL451872 0.79 PI4KA (0.38) POLB

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 MAPK1 3043/4885CXCR3 741/4885GFER 3493/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 MAPK1 3043/4885CXCR3 741/4885GFER 3493/4885

“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.