SCHEMBL448044

SCHEMBL448044

Cc1ccc(-n2c(C(C)Cl)nc3ccccc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 2/20 0.56
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CXCR3 P49682 1/20 0.51
PDE10A Q9Y233 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.49

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
SCHEMBL16346178 0.92 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1RAB9AMAPK1LMNA
SCHEMBL450719 0.88 PTGS2 (0.51) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL451255 0.86 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1NPSR1RAB9AMEN1
SCHEMBL450858 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53
SCHEMBL28367595 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53
SCHEMBL452032 0.82 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL10163613 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1RAB9AMAPK1LMNA
SCHEMBL10163671 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1RAB9AMAPK1LMNA
SCHEMBL6979418 0.80 KCNH2 (0.59) SMN1; SMN2ALDH1A1NPSR1RAB9AMAPK1
SCHEMBL2631381 0.80 MAPK1 (0.74) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53

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 SMN1; SMN2 4873/4885ALDH1A1 3161/4885NPSR1 388/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 SMN1; SMN2 4873/4885ALDH1A1 3161/4885NPSR1 388/4885

“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.