SCHEMBL4579481

SCHEMBL4579481

COc1ccc(-n2c(C(C)C(N)=O)nc3ccccc3c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 2/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CXCR3 P49682 1/20 0.54
PDE10A Q9Y233 2/20 0.54
POLB P06746 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
G6PD P11413 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL1553134 0.89 SMN1; SMN2 (0.63) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL1552479 0.89 HRH3 (0.47) ALDH1A1LMNACXCR3PDE10AKCNH2
SCHEMBL1553513 0.87 KCNH2 (0.56) ALDH1A1RAB9ACXCR3PDE10AKCNH2
SCHEMBL1553167 0.86 CXCR3 (0.53) ALDH1A1MEN1KMT2ACXCR3PDE10A
SCHEMBL4582001 0.86 SMN1; SMN2 (0.56) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL1553792 0.86 POLB (0.50) ALDH1A1MEN1KMT2ARAB9ACXCR3
SCHEMBL1553112 0.86 PDE10A (0.56) ALDH1A1RAB9ANPSR1CYP3A4PDE10A
SCHEMBL1552456 0.86 ALDH1A1 (0.47) ALDH1A1RAB9ANPSR1PDE10APOLB
SCHEMBL1553204 0.85 PDE10A (0.57) PDE10A
SCHEMBL1553641 0.85 PDE10A (0.57) CYP3A4PDE10AKCNH2HRH3

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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP claimed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO 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 ALDH1A1 3161/4885LMNA 3754/4885MEN1 4424/4885

“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.