SCHEMBL452022

SCHEMBL452022

CCCCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
USP2 O75604 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
SCHEMBL454849 0.91 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL450956 0.90 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL450345 0.89 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL449848 0.87 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL452467 0.87 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL448912 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL449990 0.85 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL450854 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL451572 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL452025 0.84 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD

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

“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.