SCHEMBL450487

SCHEMBL450487

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)C)cc3)nc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.47
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CXCR3 P49682 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL451491 0.95 PDE10A (0.50) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL448622 0.95 PDE10A (0.49) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL450225 0.93 ALDH1A1 (0.41) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL450288 0.91 PDE10A (0.48) PDE10ACXCR3CYP3A4TRPV4KCNH2
SCHEMBL451445 0.90 PDE10A (0.45) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL454282 0.90 ALDH1A1 (0.50) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL448869 0.90 PDE10A (0.48) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL453516 0.89 CXCR3 (0.46) PDE10AALDH1A1RAB9ANPSR1CXCR3
SCHEMBL452066 0.88 CXCR3 (0.42) PDE10AALDH1A1CXCR3POLBMAPT
SCHEMBL449020 0.88 ALDH1A1 (0.44) PDE10AALDH1A1RAB9ANPSR1CXCR3

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 PDE10A 1893/4885ALDH1A1 3161/4885RAB9A 1349/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885ALDH1A1 3161/4885RAB9A 1349/4885

“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.