SCHEMBL5284035

SCHEMBL5284035

O=C(COCc1ccc(F)cc1)NCCCCc1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NTRK1 P04629 2/20 0.45
NTRK2 Q16620 2/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL5278888 0.86 GAA (0.56) GAANTRK1MAPTMEN1KMT2A
SCHEMBL5277762 0.79 GAA (0.48) GAAPOLBMEN1KMT2ALMNA
SCHEMBL5280748 0.78 ALDH1A1 (0.50) GAAPOLBMEN1KMT2ALMNA
SCHEMBL6038072 0.74 POLB (0.60) POLBLMNAALDH1A1
SCHEMBL5279015 0.73 GAA (0.43) GAAPOLBMAPTMEN1KMT2A
SCHEMBL6038203 0.72 GAA (0.48) GAAPOLBMEN1KMT2ALMNA
SCHEMBL5286061 0.72 ALDH1A1 (0.55) GAAPOLBMAPTLMNAALDH1A1
SCHEMBL17117364 0.71 TRPV1 (0.63) GAAMAPTMEN1KMT2ALMNA
SCHEMBL15064152 0.71 MAPK1 (0.54) NTRK1NTRK2POLBMAPTMEN1
SCHEMBL15081856 0.71 MAPK1 (0.54) NTRK1NTRK2POLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 GAA 569/4885NTRK1 4543/4885NTRK2 2839/4885

“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.