SCHEMBL1554072

SCHEMBL1554072

COc1ccc(-n2c(C(C)C(N)=O)nc3c(OC)cccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.48
GPR139 Q6DWJ6 2/20 0.47
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
PDE10A Q9Y233 4/20 0.43
ALDH1A1 P00352 4/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAD52 P43351 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1553687 0.89 GPR139 (0.47) HRH3KCNH2GPR139LMNAMAPT
SCHEMBL1554095 0.88 GPR139 (0.48) HRH3KCNH2GPR139LMNAMAPT
SCHEMBL4579481 0.84 ALDH1A1 (0.59) HRH3KCNH2LMNAMAPTPDE10A
SCHEMBL1553986 0.83 HRH3 (0.48) HRH3KCNH2GPR139LMNAMAPT
SCHEMBL454500 0.83 GPR139 (0.48) HRH3KCNH2GPR139LMNAMAPT
SCHEMBL1552479 0.79 HRH3 (0.47) HRH3KCNH2LMNAPDE10AALDH1A1
SCHEMBL15816398 0.78 TNF (0.45) HRH3KCNH2PDE10AALDH1A1TNKS
SCHEMBL15816399 0.78 TNF (0.45) HRH3KCNH2PDE10AALDH1A1TNKS
SCHEMBL1553112 0.77 PDE10A (0.56) HRH3KCNH2GPR139PDE10AALDH1A1
SCHEMBL1552456 0.77 ALDH1A1 (0.47) HRH3KCNH2GPR139MAPTPDE10A

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 4581/4885GPR139 546/4885

“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.