SCHEMBL451762

SCHEMBL451762

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)nc3c(C)cccc3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 4/20 0.36
PDE10A Q9Y233 3/20 0.36
GPR139 Q6DWJ6 2/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL452922 0.87 KEAP1 (0.43) CXCR3MAPTSMN1; SMN2KDM4ERECQL
SCHEMBL453479 0.86 PDE10A (0.41) CXCR3RECQLALDH1A1KCNH2HRH3
SCHEMBL453964 0.84 GPR139 (0.41) CXCR3MAPTSMN1; SMN2KDM4ERECQL
SCHEMBL447769 0.84 ALDH1A1 (0.44) CXCR3MAPTSMN1; SMN2KDM4ERECQL
SCHEMBL449850 0.84 PDE10A (0.46) CXCR3ALDH1A1KCNH2HRH3PDE10A
SCHEMBL451132 0.84 PDE10A (0.42) CXCR3ALDH1A1PDE10ANPSR1RAB9A
SCHEMBL448502 0.83 PDE10A (0.49) CXCR3KCNH2HRH3PDE10A
SCHEMBL452865 0.82 ALDH1A1 (0.46) CXCR3MAPTALDH1A1LMNAPDE10A
SCHEMBL451913 0.81 KEAP1 (0.39) CXCR3MAPTSMN1; SMN2KDM4ERECQL
SCHEMBL451207 0.81 CXCR3 (0.44) CXCR3ALDH1A1KCNH2HRH3NPSR1

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 741/4885MAPT 4075/4885SMN1; SMN2 4873/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885MAPT 4075/4885SMN1; SMN2 4873/4885

“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.