SCHEMBL449419

SCHEMBL449419

COc1ccc(-c2ccc(-n3c(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)nc4ccccc4c3=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CXCR3 P49682 8/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
G6PD P11413 1/20 0.43
PRSS1 P07477 1/20 0.42
C1R P00736 1/20 0.42
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL451205 0.97 CXCR3 (0.50) ALDH1A1CXCR3RAB9ANPSR1LMNA
SCHEMBL454538 0.93 CXCR3 (0.47) CXCR3MEN1KMT2APRSS1PDE10A
SCHEMBL451971 0.93 CXCR3 (0.47) CXCR3MEN1KMT2APRSS1PDE10A
SCHEMBL450941 0.93 CXCR3 (0.43) ALDH1A1CXCR3RAB9ANPSR1LMNA
SCHEMBL451511 0.91 PRSS1 (0.49) CXCR3PRSS1
SCHEMBL451745 0.91 CXCR3 (0.55) ALDH1A1CXCR3RAB9ANPSR1LMNA
SCHEMBL1552855 0.91 CXCR3 (0.47) ALDH1A1CXCR3PRSS1
SCHEMBL451506 0.91 CXCR3 (0.46) ALDH1A1CXCR3RAB9ANPSR1PRSS1
SCHEMBL448755 0.90 PRSS1 (0.43) CXCR3PRSS1
SCHEMBL453544 0.90 HTR6 (0.46) ALDH1A1CXCR3NPSR1MEN1KMT2A

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 ALDH1A1 3161/4885CXCR3 741/4885RAB9A 1349/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885CXCR3 741/4885RAB9A 1349/4885

“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.