SCHEMBL451709

SCHEMBL451709

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(N4CCCC4)cc3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
HTR6 P50406 2/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CXCR3 P49682 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL451680 0.91 CXCR3 (0.41) HSD11B1HRH3CXCR3KCNH2ALDH1A1
SCHEMBL450873 0.90 TDO2 (0.41) HSD11B1HTR6CNR1CNR2HRH3
SCHEMBL450958 0.89 CXCR3 (0.40) HRH3CXCR3KCNH2ALDH1A1POLB
SCHEMBL449219 0.88 PDE10A (0.46) CXCR3
SCHEMBL449395 0.87 ALDH1A1 (0.39) HRH3CXCR3KCNH2ALDH1A1
SCHEMBL451205 0.86 CXCR3 (0.50) CXCR3LMNAALDH1A1MEN1KMT2A
SCHEMBL448345 0.86 ALDH1A1 (0.43) CXCR3HTTLMNAALDH1A1MEN1
SCHEMBL450806 0.85 PRSS1 (0.43) HRH3CXCR3KCNH2ALDH1A1KDM4E
SCHEMBL448630 0.84 PRSS1 (0.43) HRH3CXCR3KCNH2ALDH1A1KDM4E
SCHEMBL451133 0.84 TDO2 (0.45) HSD11B1CXCR3MAPTHTTL3MBTL1

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 HSD11B1 409/4885HTR6 1521/4885CNR1 139/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HSD11B1 409/4885HTR6 1521/4885CNR1 139/4885

“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.