SCHEMBL452526

SCHEMBL452526

Cc1cc(C)cc(-n2c(C(C)N(C)S(=O)(=O)c3ccccc3)nc3ccccc3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 11/20 0.44
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL454301 0.96 CXCR3 (0.47) CXCR3TDO2IDO2LMNASMN1; SMN2
SCHEMBL448940 0.94 CXCR3 (0.45) CXCR3TDO2IDO2MEN1LMNA
SCHEMBL452088 0.93 CXCR3 (0.41) CXCR3TDO2IDO2MEN1LMNA
SCHEMBL451961 0.93 HTR6 (0.45) CXCR3TDO2IDO2MEN1HPGD
SCHEMBL449232 0.91 PRSS1 (0.46) CXCR3TDO2IDO2
SCHEMBL449084 0.91 CXCR3 (0.47) CXCR3MEN1LMNAHPGDKMT2A
SCHEMBL450671 0.91 CXCR3 (0.48) CXCR3
SCHEMBL448941 0.90 CXCR3 (0.50) CXCR3LMNAPLA2G1BHPGDATG4B
SCHEMBL452894 0.88 CXCR3 (0.51) CXCR3LMNASMN1; SMN2ALDH1A1
SCHEMBL450306 0.85 CXCR3 (0.47) CXCR3MEN1KMT2APOLB

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 741/4885TDO2 3664/4885IDO2 4127/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885TDO2 3664/4885IDO2 4127/4885

“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.