SCHEMBL449224

SCHEMBL449224

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)C)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 2/20 0.43
C1R P00736 1/20 0.43
PRSS1 P07477 1/20 0.43
CNR2 P34972 1/20 0.43
RAB9A P51151 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL449492 0.94 CXCR3 (0.46) CXCR3ALDH1A1GAAMEN1KMT2A
SCHEMBL452894 0.93 CXCR3 (0.51) CXCR3SMN1; SMN2ALDH1A1NPSR1C1R
SCHEMBL452085 0.91 CXCR3 (0.44) CXCR3ALDH1A1RAB9AMEN1KMT2A
SCHEMBL450153 0.91 CXCR3 (0.44) CXCR3HTR6
SCHEMBL452088 0.91 CXCR3 (0.41) CXCR3ALDH1A1C1RPRSS1CNR2
SCHEMBL452533 0.91 CXCR3 (0.54) CXCR3PDE10A
SCHEMBL451421 0.91 CXCR3 (0.50) CXCR3SMN1; SMN2ALDH1A1NPSR1C1R
SCHEMBL452846 0.90 CXCR3 (0.49) CXCR3SMN1; SMN2ALDH1A1NPSR1C1R
SCHEMBL450830 0.90 PRSS1 (0.46) CXCR3PRSS1HTR6
SCHEMBL452137 0.89 CXCR3 (0.52) CXCR3

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 741/4885SMN1; SMN2 4873/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885SMN1; SMN2 4873/4885ALDH1A1 3161/4885

“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.