SCHEMBL450026

SCHEMBL450026

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)C)cc3)nc3c(Cl)cccc3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.42
KEAP1 Q14145 1/20 0.40
CXCR3 P49682 1/20 0.39
NPBWR1 P48145 4/20 0.39
MCHR1 Q99705 3/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
BMP1 P13497 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KAT2B Q92831 1/20 0.36
C1R P00736 1/20 0.36

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
SCHEMBL452780 0.92 ALDH1A1 (0.44) GPR139KEAP1CXCR3NPBWR1MAPT
SCHEMBL453964 0.91 GPR139 (0.41) GPR139KEAP1CXCR3NPBWR1MCHR1
SCHEMBL448954 0.91 GPR139 (0.41) GPR139KEAP1CXCR3NPBWR1MCHR1
SCHEMBL450456 0.91 NPBWR1 (0.38) GPR139KEAP1CXCR3NPBWR1MCHR1
SCHEMBL452922 0.86 KEAP1 (0.43) GPR139KEAP1CXCR3KCNH2HRH3
SCHEMBL447769 0.84 ALDH1A1 (0.44) GPR139KEAP1CXCR3KCNH2HRH3
SCHEMBL452447 0.83 ALDH1A1 (0.44) KEAP1CXCR3KCNH2HRH3MAPT
SCHEMBL452865 0.83 ALDH1A1 (0.46) KEAP1CXCR3MAPTLMNAPDE10A
SCHEMBL452066 0.83 CXCR3 (0.42) CXCR3KCNH2HRH3MAPTLMNA
SCHEMBL450216 0.82 PDE10A (0.48) GPR139CXCR3BMP1PDE10A

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 GPR139 546/4885KEAP1 567/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 GPR139 546/4885KEAP1 567/4885CXCR3 741/4885

“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.