SCHEMBL452939

SCHEMBL452939

CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
PRSS1 P07477 2/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CXCR3 P49682 9/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL448787 0.93 HTR6 (0.49) HTR6SMN1; SMN2PRSS1GAACYP1A2
SCHEMBL448941 0.92 CXCR3 (0.50) HTR6GAACXCR3KDM4EALDH1A1
SCHEMBL449492 0.92 CXCR3 (0.46) HTR6GAACXCR3KDM4EALDH1A1
SCHEMBL448997 0.91 SMN1; SMN2 (0.53) HTR6SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL449279 0.91 HTR6 (0.48) HTR6SMN1; SMN2PRSS1GAACYP1A2
SCHEMBL451961 0.91 HTR6 (0.45) HTR6SMN1; SMN2PRSS1GAACYP1A2
SCHEMBL452894 0.90 CXCR3 (0.51) SMN1; SMN2PRSS1GAACXCR3ALDH1A1
SCHEMBL448644 0.90 CXCR3 (0.50) GAACXCR3KDM4EALDH1A1HPGD
SCHEMBL453544 0.89 HTR6 (0.46) HTR6SMN1; SMN2PRSS1GAACYP1A2
SCHEMBL449628 0.88 PRSS1 (0.49) PRSS1GAACXCR3KDM4EALDH1A1

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 HTR6 1521/4885SMN1; SMN2 4873/4885PRSS1 3817/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HTR6 1521/4885SMN1; SMN2 4873/4885PRSS1 3817/4885

“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.