SCHEMBL449295

SCHEMBL449295

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3c(C)noc3C)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
PLA2G1B P04054 1/20 0.37
RAB9A P51151 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CXCR3 P49682 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL452764 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL454036 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450965 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL453890 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451647 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL450328 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451938 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451983 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL452705 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451936 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4873/4885KDM4E 3717/4885

“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.