SCHEMBL451474

SCHEMBL451474

CC(c1nc2ccccc2c(=O)n1-c1ccc(N2CCOCC2)cc1)N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
RORC P51449 1/20 0.42
CXCR3 P49682 8/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AHR P35869 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 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
SCHEMBL450806 0.93 PRSS1 (0.43) PRSS1CXCR3ALDH1A1NPSR1TSHR
SCHEMBL448630 0.92 PRSS1 (0.43) PRSS1CXCR3ALDH1A1NPSR1TSHR
SCHEMBL451511 0.91 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL449628 0.89 PRSS1 (0.49) PRSS1CXCR3ALDH1A1HTTKDM4E
SCHEMBL451133 0.89 TDO2 (0.45) PRSS1RORCCXCR3POLBRXFP1
SCHEMBL451363 0.88 CXCR3 (0.48) PRSS1CXCR3ALDH1A1NPSR1RAB9A
SCHEMBL451971 0.88 CXCR3 (0.47) PRSS1CXCR3MAPT
SCHEMBL454538 0.88 CXCR3 (0.47) PRSS1CXCR3MAPT
SCHEMBL450316 0.88 PRSS1 (0.46) PRSS1CXCR3ALDH1A1LMNA
SCHEMBL452099 0.87 HRH3 (0.52) CXCR3POLBRXFP1KCNH2HRH3

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-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 PRSS1 3817/4885RORC 23/4885CXCR3 741/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PRSS1 3817/4885RORC 23/4885CXCR3 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.