SCHEMBL452088

SCHEMBL452088

Cc1cc(C)cc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)C)cc3)nc3ccccc3c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
C1R P00736 2/20 0.38
PRSS1 P07477 2/20 0.38
CNR2 P34972 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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 0.93 CXCR3 (0.47) CXCR3C1RPRSS1TDO2IDO2
SCHEMBL452526 0.93 CXCR3 (0.44) CXCR3MEN1KMT2ATDO2IDO2
SCHEMBL451961 0.92 HTR6 (0.45) CXCR3MEN1KMT2AC1RPRSS1
SCHEMBL449224 0.91 CXCR3 (0.49) CXCR3MEN1KMT2AC1RPRSS1
SCHEMBL448940 0.91 CXCR3 (0.45) CXCR3MEN1KMT2AC1RPRSS1
SCHEMBL449492 0.91 CXCR3 (0.46) CXCR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL449084 0.89 CXCR3 (0.47) CXCR3MEN1KMT2AC1RALDH1A1
SCHEMBL449232 0.89 PRSS1 (0.46) CXCR3C1RPRSS1TDO2IDO2
SCHEMBL450671 0.88 CXCR3 (0.48) CXCR3
SCHEMBL452533 0.86 CXCR3 (0.54) 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 741/4885MEN1 4424/4885KMT2A 3861/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885MEN1 4424/4885KMT2A 3861/4885

“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.