SCHEMBL5020587

SCHEMBL5020587

CCOC(=O)/C=C/C#Cc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MDM2 Q00987 2/20 0.42
MDM4 O15151 1/20 0.42
GAA P10253 4/20 0.42

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
SCHEMBL5486359 0.87 MAPT (0.48) MAPTALDH1A1LMNATHRBMDM2
SCHEMBL5475589 0.87 MAPT (0.48) MAPTALDH1A1LMNATHRBMDM2
SCHEMBL5475595 0.87 MAPT (0.48) MAPTALDH1A1LMNATHRBMDM2
SCHEMBL13937614 0.86 CA12 (0.47) MAPTALDH1A1LMNAMAPK1MDM2
SCHEMBL3889290 0.86 CA12 (0.47) MAPTALDH1A1LMNAMAPK1MDM2
SCHEMBL3889286 0.86 CA12 (0.47) MAPTALDH1A1LMNAMAPK1MDM2
SCHEMBL14820642 0.83 HDAC1 (0.68) MAPTALDH1A1LMNATHRBHSD17B10
SCHEMBL3886223 0.82 MAPT (0.49) MAPTLMNAMDM2MEN1KMT2A
SCHEMBL13937609 0.82 MAPT (0.49) MAPTLMNAMDM2MEN1KMT2A
SCHEMBL3886225 0.82 MAPT (0.49) MAPTLMNAMDM2MEN1KMT2A

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-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 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-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 MAPT 1935/4885ALDH1A1 521/4885LMNA 1585/4885

“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.