SCHEMBL4580144

SCHEMBL4580144

COc1ccc(-c2ccc(C=CC(=O)NN(C(=O)OC(C)(C)C)c3ccc(-c4cccs4)cc3)cn2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.47
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
HDAC2 Q92769 1/20 0.40
FYN P06241 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4580146 0.81 TP53 (0.49) TNFRSF1AMAPTTP53HDAC2FYN
SCHEMBL4580140 0.81 TP53 (0.49) TNFRSF1AMAPTTP53HDAC2FYN
SCHEMBL2136444 0.80 HDAC2 (0.53) TNFRSF1AMAPTTP53HDAC2ALDH1A1
SCHEMBL2132914 0.78 HDAC2 (0.43) TNFRSF1AMAPTTP53HDAC2HDAC1
SCHEMBL4579408 0.78 HDAC1 (0.62) TNFRSF1AMAPTTP53HDAC2HDAC1
SCHEMBL4579403 0.78 HDAC1 (0.62) TNFRSF1AMAPTTP53HDAC2HDAC1
SCHEMBL14155912 0.74 FDPS (0.47) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2131413 0.74 HDAC2 (0.43) TNFRSF1AHDAC2ALDH1A1HPGDHDAC1
SCHEMBL2137854 0.71 GSK3B (0.43) TNFRSF1AHDAC2KDM4EMEN1KMT2A
SCHEMBL4579371 0.71 HDAC1 (0.61) TNFRSF1AHDAC2HDAC1

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-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 TNFRSF1A 3142/4885MAPT 2110/4885TP53 575/4885

“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.