SCHEMBL448940

SCHEMBL448940

Cc1cc(C)cc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ADAMTS4 O75173 1/20 0.40
C1R P00736 1/20 0.39
PRSS1 P07477 1/20 0.39
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38

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 0.94 CXCR3 (0.47) CXCR3MAPTALDH1A1GAALMNA
SCHEMBL452526 0.94 CXCR3 (0.44) CXCR3MEN1KMT2AALDH1A1POLB
SCHEMBL451961 0.91 HTR6 (0.45) CXCR3MEN1KMT2AMAPTALDH1A1
SCHEMBL452088 0.91 CXCR3 (0.41) CXCR3MEN1KMT2AALDH1A1GAA
SCHEMBL451421 0.91 CXCR3 (0.50) CXCR3MEN1KMT2AHSP90AA1MAPT
SCHEMBL448644 0.91 CXCR3 (0.50) CXCR3MEN1KMT2AHSP90AA1MAPT
SCHEMBL449084 0.90 CXCR3 (0.47) CXCR3MEN1KMT2AMAPTALDH1A1
SCHEMBL449232 0.90 PRSS1 (0.46) CXCR3C1RPRSS1TDO2IDO2
SCHEMBL450671 0.89 CXCR3 (0.48) CXCR3
SCHEMBL452894 0.87 CXCR3 (0.51) CXCR3ALDH1A1GAALMNAC1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.