SCHEMBL452048

SCHEMBL452048

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(=O)O)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.54
PDE10A Q9Y233 1/20 0.49
MAPK1 P28482 1/20 0.49
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE7A Q13946 1/20 0.45

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
SCHEMBL451745 0.94 CXCR3 (0.55) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL448756 0.92 CXCR3 (0.53) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL451703 0.90 ALDH1A1 (0.58) CXCR3PDE10AALDH1A1LMNAMEN1
SCHEMBL448997 0.89 SMN1; SMN2 (0.53) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL452231 0.89 CXCR3 (0.51) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL451205 0.88 CXCR3 (0.50) CXCR3PDE10AALDH1A1LMNAMEN1
SCHEMBL452942 0.88 CXCR3 (0.49) CXCR3MAPK1MEN1KMT2A
SCHEMBL452464 0.87 CXCR3 (0.51) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL450173 0.87 CXCR3 (0.51) CXCR3PDE10APTGS2ALDH1A1LMNA
SCHEMBL449084 0.85 CXCR3 (0.47) CXCR3PDE10AALDH1A1LMNAMEN1

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 10 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
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO 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 741/4885PDE10A 1893/4885MAPK1 3043/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PDE10A 1893/4885MAPK1 3043/4885

“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.