SCHEMBL452172

SCHEMBL452172

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 2/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDE10A Q9Y233 4/20 0.54
G6PD P11413 1/20 0.54
MAPT P10636 1/20 0.53
PTGS2 P35354 1/20 0.53
TSHR P16473 1/20 0.53
CXCR3 P49682 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 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
SCHEMBL451131 0.89 NPC1 (0.52) ALDH1A1LMNARAB9AMAPTTSHR
SCHEMBL1553135 0.88 SMN1; SMN2 (0.65) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL448500 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL450858 0.86 SMN1; SMN2 (0.57) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL1553760 0.86 CXCR3 (0.54) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL1553514 0.86 HRH3 (0.55) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL447902 0.85 PTGS2 (0.49) ALDH1A1MEN1KMT2ARAB9APTGS2
SCHEMBL450061 0.85 CXCR3 (0.54) ALDH1A1MEN1KMT2APDE10ACXCR3
SCHEMBL453737 0.85 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL451255 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ARAB9A

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 9 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-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 3161/4885LMNA 3754/4885MEN1 4424/4885
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.