SCHEMBL449089

SCHEMBL449089

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
CXCR3 P49682 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
BMP1 P13497 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPBWR1 P48145 6/20 0.37
MCHR1 Q99705 6/20 0.37
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

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
SCHEMBL448724 0.91 NPBWR1 (0.40) HRH3KCNH2GPR139CXCR3PDE10A
SCHEMBL447897 0.90 ALDH1A1 (0.42) HRH3KCNH2CXCR3PDE10AMAPT
SCHEMBL452097 0.90 HRH3 (0.39) HRH3KCNH2GPR139CXCR3PDE10A
SCHEMBL452305 0.86 CXCR3 (0.41) HRH3KCNH2GPR139CXCR3PDE10A
SCHEMBL448954 0.86 GPR139 (0.41) HRH3KCNH2GPR139CXCR3PDE10A
SCHEMBL450632 0.84 ALDH1A1 (0.42) HRH3KCNH2GPR139CXCR3PDE10A
SCHEMBL452066 0.83 CXCR3 (0.42) HRH3KCNH2CXCR3PDE10AMAPT
SCHEMBL450216 0.82 PDE10A (0.48) GPR139CXCR3PDE10ABMP1
SCHEMBL452784 0.82 ALDH1A1 (0.44) HRH3KCNH2CXCR3MAPTMEN1
SCHEMBL451745 0.81 CXCR3 (0.55) CXCR3PDE10AMAPTMEN1KMT2A

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 7 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

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 HRH3 886/4885KCNH2 4581/4885GPR139 546/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HRH3 886/4885KCNH2 4581/4885GPR139 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.