SCHEMBL452922

SCHEMBL452922

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CXCR3 P49682 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL447769 0.97 ALDH1A1 (0.44) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL453964 0.95 GPR139 (0.41) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL452865 0.95 ALDH1A1 (0.46) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL451913 0.94 KEAP1 (0.39) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL451207 0.93 CXCR3 (0.44) KEAP1ALDH1A1CXCR3MMP1MMP13
SCHEMBL453724 0.91 CXCR3 (0.44) KEAP1ALDH1A1CXCR3MMP1MMP13
SCHEMBL451762 0.87 CXCR3 (0.38) ALDH1A1CXCR3MAPTLMNAKCNH2
SCHEMBL450026 0.86 GPR139 (0.42) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL448954 0.86 GPR139 (0.41) KEAP1ALDH1A1CXCR3MAPTLMNA
SCHEMBL452447 0.86 ALDH1A1 (0.44) KEAP1ALDH1A1CXCR3MAPTLMNA

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 KEAP1 567/4885ALDH1A1 3161/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 KEAP1 567/4885ALDH1A1 3161/4885CXCR3 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.