SCHEMBL5280441

SCHEMBL5280441

COc1ccc(NS(=O)(=O)c2ccc(C#CCNC(=O)COCc3ccc(F)cc3)cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B3 P37058 1/20 0.39
HSD17B2 P37059 1/20 0.39
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PLA2G7 Q13093 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL5282703 0.88 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL5278766 0.87 LMNA (0.45) ALDH1A1LMNASMN1; SMN2KDM4EAR
SCHEMBL5290150 0.86 CACNA1H (0.41) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL5280023 0.85 FFAR1 (0.46) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL5279117 0.84 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL6038051 0.83 NAMPT (0.49) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL5280431 0.83 LMNA (0.48) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL6037946 0.80 SLC22A12 (0.44) MAPK1MEN1KMT2AHTT
SCHEMBL6037903 0.80 CA1 (0.49) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL6038148 0.79 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2

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 ALDH1A1 781/4885LMNA 851/4885MAPT 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.