SCHEMBL448724

SCHEMBL448724

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)C)cc3)nc3cccc(C)c3c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.40
MCHR1 Q99705 5/20 0.40
GPR139 Q6DWJ6 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCR3 P49682 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 2/20 0.38
BMP1 P13497 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
C1R P00736 1/20 0.36
KEAP1 Q14145 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 0.95 CXCR3 (0.41) GPR139POLBMAPTSMN1; SMN2CXCR3
SCHEMBL450632 0.93 ALDH1A1 (0.42) GPR139SMN1; SMN2CXCR3PDE10AHRH3
SCHEMBL449089 0.91 HRH3 (0.40) NPBWR1MCHR1GPR139POLBMAPT
SCHEMBL452784 0.90 ALDH1A1 (0.44) MAPTCXCR3HRH3KCNH2PIK3CD
SCHEMBL451645 0.90 CXCR3 (0.38) NPBWR1MCHR1GPR139CXCR3PDE10A
SCHEMBL453148 0.89 CXCR3 (0.44) NPBWR1CXCR3HRH3KCNH2PIK3CD
SCHEMBL452063 0.87 CXCR3 (0.44) NPBWR1GPR139POLBMAPTSMN1; SMN2
SCHEMBL453964 0.86 GPR139 (0.41) NPBWR1MCHR1GPR139POLBMAPT
SCHEMBL453479 0.84 PDE10A (0.41) NPBWR1MCHR1GPR139CXCR3PDE10A
SCHEMBL452066 0.83 CXCR3 (0.42) POLBMAPTSMN1; SMN2CXCR3PDE10A

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 NPBWR1 2140/4885MCHR1 1915/4885GPR139 546/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 NPBWR1 2140/4885MCHR1 1915/4885GPR139 546/4885

“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.