SCHEMBL448954

SCHEMBL448954

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
KEAP1 Q14145 1/20 0.40
CXCR3 P49682 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 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
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
KAT2B Q92831 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
SCHEMBL450026 0.91 GPR139 (0.42) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL453964 0.91 GPR139 (0.41) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL452447 0.90 ALDH1A1 (0.44) HRH3KCNH2KEAP1CXCR3LMNA
SCHEMBL450121 0.90 HRH3 (0.39) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL452922 0.86 KEAP1 (0.43) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL449089 0.86 HRH3 (0.40) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL447769 0.84 ALDH1A1 (0.44) GPR139HRH3KCNH2KEAP1CXCR3
SCHEMBL452780 0.83 ALDH1A1 (0.44) GPR139KEAP1CXCR3LMNAMAPT
SCHEMBL452066 0.83 CXCR3 (0.42) HRH3KCNH2CXCR3LMNAMAPT
SCHEMBL450456 0.82 NPBWR1 (0.38) GPR139HRH3KCNH2KEAP1CXCR3

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

“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.