SCHEMBL451765

SCHEMBL451765

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4ccccc4C)cc3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 11/20 0.38
PRSS1 P07477 1/20 0.36
PI4KA P42356 2/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 1/20 0.34
PIK3CG P48736 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL449536 0.92 PRSS1 (0.37) CXCR3PRSS1PI4KAALDH1A1SMN1; SMN2
SCHEMBL451993 0.92 PI4KA (0.40) CXCR3PRSS1PI4KAALDH1A1NPSR1
SCHEMBL451728 0.91 PI4KA (0.38) CXCR3PRSS1PI4KAALDH1A1PIK3CG
SCHEMBL450973 0.91 PI4KA (0.39) CXCR3PRSS1PI4KAALDH1A1SMN1; SMN2
SCHEMBL450728 0.90 PRSS1 (0.42) CXCR3PRSS1ALDH1A1
SCHEMBL451506 0.88 CXCR3 (0.46) CXCR3PRSS1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL449229 0.87 MEN1 (0.37) CXCR3PRSS1PI4KA
SCHEMBL451363 0.86 CXCR3 (0.48) CXCR3PRSS1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL448991 0.86 CXCR3 (0.39) CXCR3PRSS1ALDH1A1
SCHEMBL448345 0.86 ALDH1A1 (0.43) CXCR3PI4KAALDH1A1SMN1; SMN2NPSR1

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 741/4885PRSS1 3817/4885PI4KA 901/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885PRSS1 3817/4885PI4KA 901/4885

“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.