SCHEMBL448587

SCHEMBL448587

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CXCR3 P49682 3/20 0.38
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
AVPR1B P47901 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL451989 0.92 ALDH1A1 (0.40) ALDH1A1CXCR3PI4KAPIK3CGAVPR1B
SCHEMBL449219 0.92 PDE10A (0.46) PDE10ACXCR3TP53SMN1; SMN2
SCHEMBL448345 0.89 ALDH1A1 (0.43) ALDH1A1MEN1RECQLKMT2ACXCR3
SCHEMBL450771 0.89 AVPR1B (0.40) ALDH1A1PI4KAPIK3CGAVPR1BRAB9A
SCHEMBL449622 0.88 CXCR3 (0.42) CXCR3SMN1; SMN2
SCHEMBL451680 0.88 CXCR3 (0.41) ALDH1A1PDE10ACXCR3
SCHEMBL449758 0.88 PDE10A (0.47) ALDH1A1PDE10ACXCR3RAB9ANPSR1
SCHEMBL453928 0.87 CXCR3 (0.40) ALDH1A1MEN1KMT2APDE10ACXCR3
SCHEMBL449573 0.87 PDE10A (0.46) CYP3A4PDE10ACXCR3TP53SMN1; SMN2
SCHEMBL449425 0.87 CXCR3 (0.36) ALDH1A1MEN1KMT2ACXCR3PI4KA

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-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 3161/4885MEN1 4424/4885USP2 4055/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MEN1 4424/4885USP2 4055/4885

“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.