SCHEMBL1553514

SCHEMBL1553514

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
PDE10A Q9Y233 1/20 0.51
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
CXCR3 P49682 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL452172 0.86 ALDH1A1 (0.61) HRH3KCNH2ALDH1A1RAB9APDE10A
SCHEMBL451131 0.85 NPC1 (0.52) HRH3KCNH2ALDH1A1NPC1RAB9A
SCHEMBL1553513 0.83 KCNH2 (0.56) HRH3KCNH2ALDH1A1NPC1RAB9A
SCHEMBL450858 0.83 SMN1; SMN2 (0.57) ALDH1A1RAB9APDE10ASMN1; SMN2CXCR3
SCHEMBL1553760 0.83 CXCR3 (0.54) HRH3KCNH2ALDH1A1RAB9AL3MBTL1
SCHEMBL450061 0.82 CXCR3 (0.54) ALDH1A1PDE10ASMN1; SMN2CXCR3MEN1
SCHEMBL453737 0.82 SMN1; SMN2 (0.58) HRH3KCNH2ALDH1A1RAB9APDE10A
SCHEMBL447902 0.82 PTGS2 (0.49) HRH3KCNH2ALDH1A1NPC1RAB9A
SCHEMBL450044 0.80 MEN1 (0.47) HRH3KCNH2ALDH1A1NPC1RAB9A
SCHEMBL1553362 0.80 KCNH2 (0.44) HRH3KCNH2ALDH1A1NPC1RAB9A

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 HRH3 886/4885KCNH2 4581/4885ALDH1A1 3161/4885

“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.