SCHEMBL1553986

SCHEMBL1553986

COc1ccc(-n2c(C(C)C(N)=O)nc3cccc(OC)c3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.48
GPR139 Q6DWJ6 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
PDE10A Q9Y233 3/20 0.44
PIK3R2 O00459 2/20 0.41
CXCR3 P49682 1/20 0.40
PIK3CD O00329 5/20 0.40
PIK3CG P48736 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39

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
SCHEMBL1554244 0.89 GPR139 (0.46) HRH3KCNH2GPR139MEN1KMT2A
SCHEMBL4579481 0.84 ALDH1A1 (0.59) HRH3KCNH2MEN1KMT2AMAPT
SCHEMBL1554072 0.83 HRH3 (0.48) HRH3KCNH2GPR139MEN1KMT2A
SCHEMBL451012 0.83 HRH3 (0.47) HRH3KCNH2GPR139MEN1KMT2A
SCHEMBL1552479 0.79 HRH3 (0.47) HRH3KCNH2PDE10ACXCR3ALDH1A1
SCHEMBL1553204 0.78 PDE10A (0.57) GPR139PDE10APIK3R2PIK3CDPIK3CG
SCHEMBL15816896 0.78 PIK3CD (0.48) HRH3KCNH2PIK3CDPIK3CGPIK3R1
SCHEMBL15816895 0.78 PIK3CD (0.48) HRH3KCNH2PIK3CDPIK3CGPIK3R1
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.