SCHEMBL452085

SCHEMBL452085

CC(C)c1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 14/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR6 P50406 1/20 0.41
USP2 O75604 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL449492 0.93 CXCR3 (0.46) CXCR3MEN1KMT2AHTR6KCNH2
SCHEMBL451676 0.91 CXCR3 (0.49) CXCR3MEN1KMT2AUSP2TLR9
SCHEMBL449224 0.91 CXCR3 (0.49) CXCR3MEN1KMT2AHTR6ALDH1A1
SCHEMBL450153 0.90 CXCR3 (0.44) CXCR3HTR6KCNH2HRH3
SCHEMBL452533 0.90 CXCR3 (0.54) CXCR3
SCHEMBL450830 0.89 PRSS1 (0.46) CXCR3HTR6
SCHEMBL450887 0.89 PRSS1 (0.46) CXCR3MEN1KMT2AUSP2TLR9
SCHEMBL452137 0.88 CXCR3 (0.52) CXCR3
SCHEMBL452088 0.86 CXCR3 (0.41) CXCR3MEN1KMT2AALDH1A1
SCHEMBL448941 0.86 CXCR3 (0.50) CXCR3HTR6ALDH1A1

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.