SCHEMBL453928

SCHEMBL453928

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4ccc(C(=O)O)cc4)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.40
PTGES O14684 1/20 0.40
HPD P32754 2/20 0.39
RARG P13631 1/20 0.39
RXRA P19793 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2C Q14957 1/20 0.39
PTPN11 Q06124 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL448345 0.92 ALDH1A1 (0.43) CXCR3PTGESHPDSMN1; SMN2MEN1
SCHEMBL451680 0.89 CXCR3 (0.41) CXCR3HPDPDE10AALDH1A1
SCHEMBL451989 0.88 ALDH1A1 (0.40) CXCR3ALDH1A1MAPTNPSR1
SCHEMBL448994 0.87 POLB (0.40) CXCR3PTGESHPDRARGRXRA
SCHEMBL449425 0.87 CXCR3 (0.36) CXCR3SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL448587 0.87 ALDH1A1 (0.40) CXCR3PDE10ASMN1; SMN2TP53MEN1
SCHEMBL449419 0.86 ALDH1A1 (0.50) CXCR3PDE10AMEN1ALDH1A1LMNA
SCHEMBL450958 0.86 CXCR3 (0.40) CXCR3HPDPDE10AALDH1A1NPSR1
SCHEMBL454416 0.86 CXCR3 (0.48) CXCR3RARGRXRAPDE10AMEN1
SCHEMBL449219 0.86 PDE10A (0.46) CXCR3PDE10ASMN1; SMN2TP53

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 741/4885PTGES 1467/4885HPD 3916/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PTGES 1467/4885HPD 3916/4885

“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.