SCHEMBL453901

SCHEMBL453901

CNC(C)c1nc2ccccc2c(=O)n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CACNA2D1 P54289 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
AURKB Q96GD4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL6979700 0.84 KDM4E (0.60) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL15457213 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL451131 0.82 NPC1 (0.52) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL1520755 0.82 ALDH1A1 (0.48) KDM4EALDH1A1MAPTCACNA2D1HTT
SCHEMBL13725597 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3816839 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL15457211 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6922134 0.80 CACNA2D1 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL15457216 0.79 KDM4E (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL450858 0.78 SMN1; SMN2 (0.57) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A

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 KDM4E 3717/4885ALDH1A1 3161/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 KDM4E 3717/4885ALDH1A1 3161/4885MAPT 4075/4885

“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.