SCHEMBL449758

SCHEMBL449758

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(-c4ccccc4)cc3)nc3ccc(Cl)cc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
ALDH1A1 P00352 2/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
CXCR3 P49682 1/20 0.43
EGFR P00533 2/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL452196 0.95 PDE10A (0.49) PDE10AALDH1A1CXCR3
SCHEMBL454039 0.95 PDE10A (0.51) PDE10ACXCR3
SCHEMBL450952 0.94 EGFR (0.49) PDE10AALDH1A1CXCR3EGFRRAB9A
SCHEMBL450015 0.93 ALDH1A1 (0.46) ALDH1A1CXCR3RAB9ANPSR1
SCHEMBL451837 0.91 PDE10A (0.48) PDE10AALDH1A1CXCR3RAB9ANPSR1
SCHEMBL450216 0.91 PDE10A (0.48) PDE10ACXCR3
SCHEMBL450081 0.91 ALDH1A1 (0.48) PDE10AALDH1A1CXCR3RAB9ANPSR1
SCHEMBL449219 0.89 PDE10A (0.46) PDE10ACXCR3
SCHEMBL451919 0.89 PDE10A (0.50) PDE10AALDH1A1CXCR3EGFRRAB9A
SCHEMBL448997 0.89 SMN1; SMN2 (0.53) PDE10AALDH1A1CXCR3RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PDE10A 1893/4885ALDH1A1 3161/4885AURKA 1627/4885

“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.