SCHEMBL450828

SCHEMBL450828

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
CXCR3 P49682 4/20 0.55
ALDH1A1 P00352 3/20 0.49
PDE10A Q9Y233 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
UBE2N P61088 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 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
SCHEMBL449210 0.95 CXCR3 (0.59) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL452466 0.91 POLB (0.58) POLBCXCR3ALDH1A1PDE10AMEN1
SCHEMBL453845 0.91 CXCR3 (0.55) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL1552961 0.89 CXCR3 (0.54) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL450119 0.87 CXCR3 (0.55) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL451716 0.84 CXCR3 (0.56) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL448566 0.84 ALDH1A1 (0.56) POLBCXCR3ALDH1A1PDE10ALMNA
SCHEMBL451493 0.82 CXCR3 (0.50) CXCR3
SCHEMBL454559 0.81 CXCR3 (0.57) CXCR3
SCHEMBL450964 0.81 ALDH1A1 (0.51) POLBCXCR3ALDH1A1LMNAMEN1

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 3961/4885CXCR3 741/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885CXCR3 741/4885ALDH1A1 3161/4885

“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.