SCHEMBL452466

SCHEMBL452466

COC(=O)c1ccc(C(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
HTR6 P50406 1/20 0.48
CXCR3 P49682 10/20 0.46
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL450828 0.91 POLB (0.58) POLBCXCR3PDE10AKMT2AMEN1
SCHEMBL453845 0.91 CXCR3 (0.55) POLBSMN1; SMN2HTR6CXCR3PDE10A
SCHEMBL451143 0.87 CXCR3 (0.51) SMN1; SMN2HTR6CXCR3PDE10AKMT2A
SCHEMBL449210 0.85 CXCR3 (0.59) POLBCXCR3PDE10AKMT2AMEN1
SCHEMBL451199 0.85 SMN1; SMN2 (0.50) POLBSMN1; SMN2HTR6CXCR3PDE10A
SCHEMBL453380 0.83 SMN1; SMN2 (0.53) SMN1; SMN2HTR6CXCR3PDE10AKMT2A
SCHEMBL451493 0.82 CXCR3 (0.50) CXCR3MAPK1
SCHEMBL451852 0.81 ALDH1A1 (0.45) SMN1; SMN2HTR6CXCR3PDE10AKMT2A
SCHEMBL450964 0.81 ALDH1A1 (0.51) POLBSMN1; SMN2CXCR3KMT2AMEN1
SCHEMBL1552961 0.80 CXCR3 (0.54) POLBCXCR3PDE10AKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US 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 (2 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885SMN1; SMN2 4873/4885HTR6 1521/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885SMN1; SMN2 4873/4885HTR6 1521/4885

“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.