SCHEMBL452032

SCHEMBL452032

Cc1ccc(-n2c(C(C)Cl)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 2/20 0.63
TDO2 P48775 2/20 0.54
IDO2 Q6ZQW0 2/20 0.54
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLA P06280 2/20 0.45
APAF1 O14727 1/20 0.44
HTR7 P34969 2/20 0.44
POLB P06746 2/20 0.44
PDE7A Q13946 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL450561 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL1553141 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL448044 0.82 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1551501 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL450328 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL16346178 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL452764 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL450965 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL454036 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2
SCHEMBL453890 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ETDO2

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 3161/4885SMN1; SMN2 4873/4885MAPT 4075/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885SMN1; SMN2 4873/4885MAPT 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.