SCHEMBL1553513

SCHEMBL1553513

CC(C(N)=O)c1nc2ccccc2c(=O)n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CXCR3 P49682 11/20 0.50
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4579481 0.87 ALDH1A1 (0.59) KCNH2HRH3CXCR3PDE10AALDH1A1
SCHEMBL1553514 0.83 HRH3 (0.55) KCNH2HRH3CXCR3PDE10AALDH1A1
SCHEMBL4582001 0.82 SMN1; SMN2 (0.56) KCNH2HRH3CXCR3PDE10AALDH1A1
SCHEMBL1553792 0.82 POLB (0.50) KCNH2HRH3CXCR3ALDH1A1NPC1
SCHEMBL1553167 0.82 CXCR3 (0.53) CXCR3PDE10AALDH1A1
SCHEMBL1553360 0.81 MAPK1 (0.46) KCNH2HRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL1553708 0.81 MEN1 (0.50) KCNH2HRH3CXCR3
SCHEMBL1553134 0.79 SMN1; SMN2 (0.63) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1554042 0.78 HSD17B10 (0.45) CXCR3PDE10AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12659722 0.77 MAPT (0.61) KCNH2HRH3CXCR3ALDH1A1L3MBTL1

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 7 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
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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 KCNH2 4581/4885HRH3 886/4885CXCR3 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.