SCHEMBL453479

SCHEMBL453479

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)nc3cccc(C)c3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
CXCR3 P49682 1/20 0.38
PIK3CD O00329 8/20 0.37
PIK3R1 P27986 5/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CA P42336 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 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
SCHEMBL452305 0.87 CXCR3 (0.41) PDE10ACXCR3PIK3CDHRH3KCNH2
SCHEMBL451762 0.86 CXCR3 (0.38) PDE10ACXCR3HRH3KCNH2ALDH1A1
SCHEMBL448724 0.84 NPBWR1 (0.40) PDE10ACXCR3PIK3CDHRH3KCNH2
SCHEMBL450632 0.84 ALDH1A1 (0.42) PDE10ACXCR3PIK3CDHRH3KCNH2
SCHEMBL451132 0.84 PDE10A (0.42) PDE10ACXCR3ALDH1A1
SCHEMBL449850 0.84 PDE10A (0.46) PDE10ACXCR3HRH3KCNH2ALDH1A1
SCHEMBL448502 0.83 PDE10A (0.49) PDE10ACXCR3HRH3KCNH2
SCHEMBL452784 0.82 ALDH1A1 (0.44) CXCR3PIK3CDHRH3KCNH2ALDH1A1
SCHEMBL451645 0.81 CXCR3 (0.38) PDE10ACXCR3PIK3CDHRH3KCNH2
SCHEMBL453148 0.81 CXCR3 (0.44) CXCR3PIK3CDHRH3KCNH2ALDH1A1

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 PDE10A 1893/4885CXCR3 741/4885PIK3CD 1577/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885CXCR3 741/4885PIK3CD 1577/4885

“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.