SCHEMBL4560246

SCHEMBL4560246

CC(c1ccccc1)c1nccc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
BCAT2 O15382 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 2/20 0.36
NR3C2 P08235 1/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
LDHB P07195 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IKBKB O14920 1/20 0.35

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
SCHEMBL14857136 0.87 NTRK1 (0.43) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL4560349 0.78 KDM4E (0.39) NTRK1PIM1BCAT2MEN1KMT2A
SCHEMBL23199045 0.76 NTRK1 (0.52) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL4560248 0.75 MEN1 (0.43) NTRK1PIM1MEN1GAAKMT2A
SCHEMBL14917462 0.74 MKNK1 (0.49) NTRK1PIM1BCAT2MEN1GAA
Acetic Acid SCHEMBL27846617 0.74 NTRK1 (0.50) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL28143127 0.73 CDC7 (0.46) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL25275838 0.73 BCAT2 (0.44) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL1533660 0.72 NTRK1 (0.43) NTRK1PIM1BCAT2MEN1GAA
SCHEMBL27681038 0.71 BCAT2 (0.42) NTRK1PIM1BCAT2MEN1GAA

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 NTRK1 4567/4885PIM1 3790/4885BCAT2 2527/4885

“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.