SCHEMBL447864

SCHEMBL447864

Cc1ccc(-n2c(CN(C)S(C)(=O)=O)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDO2 P48775 1/20 0.51
IDO2 Q6ZQW0 1/20 0.51
USP2 O75604 1/20 0.47
PDE10A Q9Y233 3/20 0.47
LMNA P02545 3/20 0.46
HTR7 P34969 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL450956 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450045 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450403 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL453808 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL449750 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL452025 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL448540 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL449848 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL451821 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL449985 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.