SCHEMBL1553687

SCHEMBL1553687

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CG P48736 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PDE10A Q9Y233 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL1554072 0.89 HRH3 (0.48) GPR139KCNH2HRH3MAPTLMNA
SCHEMBL1554095 0.88 GPR139 (0.48) GPR139KCNH2HRH3MAPTLMNA
SCHEMBL4579481 0.84 ALDH1A1 (0.59) KCNH2HRH3MAPTLMNAALDH1A1
SCHEMBL1554244 0.83 GPR139 (0.46) GPR139KCNH2HRH3MAPTLMNA
SCHEMBL452482 0.83 GPR139 (0.48) GPR139KCNH2HRH3MAPTLMNA
SCHEMBL1552479 0.79 HRH3 (0.47) KCNH2HRH3LMNAALDH1A1PDE10A
SCHEMBL1553112 0.79 PDE10A (0.56) GPR139KCNH2HRH3ALDH1A1RAB9A
SCHEMBL1552456 0.79 ALDH1A1 (0.47) GPR139KCNH2HRH3MAPTALDH1A1
SCHEMBL452922 0.77 KEAP1 (0.43) GPR139KCNH2HRH3MAPTLMNA
SCHEMBL1553986 0.77 HRH3 (0.48) GPR139KCNH2HRH3MAPTLMNA

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 GPR139 546/4885KCNH2 4581/4885HRH3 886/4885

“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.