SCHEMBL450962

SCHEMBL450962

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CXCR3 P49682 3/20 0.45
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
TRPM8 Q7Z2W7 9/20 0.39
IDO1 P14902 1/20 0.38
ACP1 P24666 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL451269 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL454036 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL453295 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL448424 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL452757 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL454513 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL449258 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL450567 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL449873 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3
SCHEMBL451983 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2CXCR3

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 ALDH1A1 3161/4885KDM4E 3717/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885MAPT 4075/4885

“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.