SCHEMBL451703

SCHEMBL451703

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CXCR3 P49682 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.49
PDE10A Q9Y233 5/20 0.47
G6PD P11413 1/20 0.47
C1R P00736 1/20 0.46

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 0.96 CXCR3 (0.55) ALDH1A1RAB9ANPSR1CXCR3MEN1
SCHEMBL448756 0.94 CXCR3 (0.53) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL449084 0.92 CXCR3 (0.47) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL448997 0.92 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL452231 0.92 CXCR3 (0.51) ALDH1A1RAB9ANPSR1CXCR3MEN1
SCHEMBL452894 0.91 CXCR3 (0.51) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL449859 0.91 ALDH1A1 (0.45) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL448622 0.91 PDE10A (0.49) ALDH1A1RAB9ANPSR1CXCR3SMN1; SMN2
SCHEMBL451205 0.90 CXCR3 (0.50) ALDH1A1RAB9ANPSR1CXCR3MEN1
SCHEMBL452048 0.90 CXCR3 (0.54) ALDH1A1RAB9ANPSR1CXCR3MEN1

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 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885

“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.