SCHEMBL449425

SCHEMBL449425

COc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4ccsc4)cc3c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.36
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 3/20 0.34
RAB9A P51151 1/20 0.34
PIK3CG P48736 4/20 0.34
PI4KA P42356 3/20 0.34
CASR P41180 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRB2 P07550 1/20 0.33

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 0.89 ALDH1A1 (0.43) CXCR3ALDH1A1NPSR1RAB9API4KA
SCHEMBL451680 0.88 CXCR3 (0.41) CXCR3ALDH1A1CASRHSD11B1
SCHEMBL449452 0.88 MEN1 (0.40) CXCR3ALDH1A1NPSR1RAB9AMEN1
SCHEMBL451989 0.87 ALDH1A1 (0.40) CXCR3ALDH1A1NPSR1RAB9APIK3CG
SCHEMBL453928 0.87 CXCR3 (0.40) CXCR3ALDH1A1NPSR1MEN1LMNA
SCHEMBL448587 0.87 ALDH1A1 (0.40) CXCR3ALDH1A1NPSR1RAB9APIK3CG
SCHEMBL447712 0.86 CXCR3 (0.41) CXCR3
SCHEMBL450958 0.86 CXCR3 (0.40) CXCR3ALDH1A1NPSR1RAB9A
SCHEMBL449219 0.85 PDE10A (0.46) CXCR3SMN1; SMN2
SCHEMBL449395 0.84 ALDH1A1 (0.39) CXCR3ALDH1A1NPSR1RAB9ACASR

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 CXCR3 741/4885ALDH1A1 3161/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ALDH1A1 3161/4885NPSR1 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.