SCHEMBL451989

SCHEMBL451989

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4cccc(C)c4)cc3c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
PI4KA P42356 3/20 0.39
PIK3CG P48736 2/20 0.39
CXCR3 P49682 3/20 0.38
AVPR1B P47901 3/20 0.37
G6PD P11413 1/20 0.36

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
SCHEMBL448345 0.93 ALDH1A1 (0.43) ALDH1A1RAB9ANPSR1PI4KACXCR3
SCHEMBL450771 0.92 AVPR1B (0.40) ALDH1A1RAB9ANPSR1PI4KAPIK3CG
SCHEMBL448587 0.92 ALDH1A1 (0.40) ALDH1A1RAB9ANPSR1PI4KAPIK3CG
SCHEMBL450958 0.91 CXCR3 (0.40) ALDH1A1RAB9ANPSR1CXCR3
SCHEMBL451680 0.89 CXCR3 (0.41) ALDH1A1CXCR3
SCHEMBL451249 0.88 CXCR3 (0.43) ALDH1A1MAPTCXCR3
SCHEMBL449395 0.88 ALDH1A1 (0.39) ALDH1A1RAB9ANPSR1CXCR3
SCHEMBL451993 0.88 PI4KA (0.40) ALDH1A1RAB9ANPSR1PI4KAPIK3CG
SCHEMBL453928 0.88 CXCR3 (0.40) ALDH1A1NPSR1MAPTCXCR3
SCHEMBL450081 0.87 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1PI4KACXCR3

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.