SCHEMBL448729

SCHEMBL448729

COc1cccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.43
USP2 O75604 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
CXCR3 P49682 1/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL451269 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL451983 0.91 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL450744 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL453803 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL448618 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL454513 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL454036 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL450535 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL451604 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL454312 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2

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 3161/4885SMN1; SMN2 4873/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885SMN1; SMN2 4873/4885MAPT 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.