SCHEMBL453594

SCHEMBL453594

CNCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
MEN1 O00255 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
KMT2A Q03164 1/20 0.72
GAA P10253 1/20 0.67
PDE10A Q9Y233 7/20 0.67
LMNA P02545 1/20 0.61
HTR7 P34969 2/20 0.60
TSHR P16473 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPT P10636 1/20 0.58
USP2 O75604 1/20 0.57

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
SCHEMBL4393425 0.85 ALDH1A1 (0.76) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL451250 0.85 ALDH1A1 (0.76) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL451191 0.84 ALDH1A1 (0.64) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL450032 0.84 ALDH1A1 (0.64) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL449634 0.84 ALDH1A1 (0.64) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL409520 0.83 MEN1 (0.80) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4957798 0.82 MEN1 (0.86) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1552965 0.82 PDE10A (0.62) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL450538 0.81 ALDH1A1 (0.66) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL452486 0.81 GAA (0.67) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6

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
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
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 (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 ALDH1A1 3161/4885MEN1 4424/4885CYP1A2 408/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MEN1 4424/4885CYP1A2 408/4885

“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.