SCHEMBL448787

SCHEMBL448787

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CXCR3 P49682 9/20 0.44
PTGS2 P35354 3/20 0.44
PRSS1 P07477 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL452939 0.93 HTR6 (0.51) HTR6SMN1; SMN2CXCR3PRSS1CYP1A2
SCHEMBL450306 0.93 CXCR3 (0.47) HTR6CXCR3PTGS2MEN1KMT2A
SCHEMBL450153 0.92 CXCR3 (0.44) HTR6CXCR3PTGS2
SCHEMBL452846 0.91 CXCR3 (0.49) SMN1; SMN2CXCR3PRSS1GAAALDH1A1
SCHEMBL450680 0.91 CXCR3 (0.49) CXCR3PTGS2MEN1KMT2APDE10A
SCHEMBL449279 0.89 HTR6 (0.48) HTR6SMN1; SMN2CXCR3PRSS1CYP1A2
SCHEMBL452231 0.89 CXCR3 (0.51) CXCR3PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL448997 0.89 SMN1; SMN2 (0.53) HTR6SMN1; SMN2CXCR3PTGS2CYP1A2
SCHEMBL447713 0.89 PRSS1 (0.46) CXCR3PTGS2PRSS1
SCHEMBL453891 0.88 CXCR3 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4873/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HTR6 1521/4885SMN1; SMN2 4873/4885CXCR3 741/4885

“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.