SCHEMBL450225

SCHEMBL450225

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CXCR3 P49682 1/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BMP1 P13497 1/20 0.39
PDE10A Q9Y233 2/20 0.39
HPD P32754 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL449020 0.95 ALDH1A1 (0.44) ALDH1A1RAB9ANPSR1CXCR3POLB
SCHEMBL449859 0.95 ALDH1A1 (0.45) ALDH1A1RAB9ANPSR1CXCR3POLB
SCHEMBL452066 0.94 CXCR3 (0.42) ALDH1A1CXCR3POLBMAPTSMN1; SMN2
SCHEMBL450487 0.93 PDE10A (0.47) ALDH1A1RAB9ANPSR1CXCR3POLB
SCHEMBL450216 0.91 PDE10A (0.48) CXCR3BMP1PDE10AGPR139
SCHEMBL450081 0.90 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1CXCR3PDE10A
SCHEMBL450958 0.90 CXCR3 (0.40) ALDH1A1RAB9ANPSR1CXCR3POLB
SCHEMBL451837 0.90 PDE10A (0.48) ALDH1A1RAB9ANPSR1CXCR3PDE10A
SCHEMBL452241 0.89 CXCR3 (0.46) ALDH1A1RAB9ANPSR1CXCR3POLB
SCHEMBL451491 0.88 PDE10A (0.50) ALDH1A1RAB9ANPSR1CXCR3MAPT

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 3161/4885RAB9A 1349/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885RAB9A 1349/4885NPSR1 388/4885

“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.