SCHEMBL448997

SCHEMBL448997

COc1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CXCR3 P49682 2/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.48
HTR6 P50406 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 3/20 0.47
PDE10A Q9Y233 4/20 0.46
JUN P05412 1/20 0.46
C1R P00736 1/20 0.46

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
SCHEMBL451745 0.95 CXCR3 (0.55) CXCR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL448756 0.93 CXCR3 (0.53) SMN1; SMN2CXCR3ALDH1A1LMNAMEN1
SCHEMBL451703 0.92 ALDH1A1 (0.58) SMN1; SMN2CXCR3ALDH1A1LMNAMEN1
SCHEMBL452939 0.91 HTR6 (0.51) SMN1; SMN2CXCR3ALDH1A1LMNAHTR6
SCHEMBL451919 0.91 PDE10A (0.50) SMN1; SMN2CXCR3ALDH1A1LMNAHTR6
SCHEMBL452231 0.91 CXCR3 (0.51) CXCR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL452196 0.90 PDE10A (0.49) SMN1; SMN2CXCR3ALDH1A1LMNAPDE10A
SCHEMBL451521 0.90 PDE10A (0.51) CXCR3CYP3A4PDE10A
SCHEMBL454039 0.90 PDE10A (0.51) CXCR3PDE10A
SCHEMBL450952 0.90 EGFR (0.49) SMN1; SMN2CXCR3ALDH1A1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 4873/4885CXCR3 741/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 SMN1; SMN2 4873/4885CXCR3 741/4885ALDH1A1 3161/4885

“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.