SCHEMBL453883

SCHEMBL453883

COc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE10A Q9Y233 1/20 0.48
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR7 P34969 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL450526 0.93 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL450707 0.92 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL452102 0.87 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL452486 0.87 GAA (0.67) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL450032 0.85 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL454849 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL451551 0.80 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL450438 0.79 ALDH1A1 (0.67) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL451472 0.79 ALDH1A1 (0.57) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL448160 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHTTKDM4E

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 3161/4885MAPT 4075/4885LMNA 3754/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885LMNA 3754/4885

“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.