SCHEMBL5280062

SCHEMBL5280062

O=C(O)/C=C/C=C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1C Q13936 1/20 0.44
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRD1 P41143 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5280064 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7260255 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8495166 0.73 KMT2A (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15415069 0.70 CYP2D6 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3131844 0.69 OPRM1 (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4826291 0.69 OPRM1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL27750604 0.69 OPRM1 (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL62801 0.69 KMT2A (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1742214 0.68 OPRM1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL11616979 0.68 KMT2A (0.50) KDM4EMAPTKMT2AMEN1CACNA2D1

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 3 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 disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (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 ALDH1A1 781/4885KDM4E 67/4885MAPT 3848/4885

“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.