SCHEMBL3023796

SCHEMBL3023796

CC(C)CNC(=O)c1cccc(-c2cccc(C(=O)NO)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
KMT2A Q03164 2/20 0.73
HSD17B10 Q99714 1/20 0.73
HDAC8 Q9BY41 5/20 0.61
HPGD P15428 1/20 0.54
HDAC6 Q9UBN7 4/20 0.50
HDAC2 Q92769 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
EGLN2 Q96KS0 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL31331780 0.89 GAA (0.76) GAAKMT2AHSD17B10HDAC8HPGD
SCHEMBL1928381 0.89 GAA (0.76) GAAKMT2AHSD17B10HDAC8HPGD
SCHEMBL3033908 0.87 HDAC8 (0.56) GAAKMT2AHSD17B10HDAC8HPGD
SCHEMBL16105693 0.84 KMT2A (0.67) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL6273049 0.83 GAA (0.66) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL23665645 0.81 KMT2A (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL31055430 0.81 KMT2A (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL3028838 0.81 KMT2A (0.63) GAAKMT2AHSD17B10HDAC8HPGD
SCHEMBL5943961 0.81 SMN1; SMN2 (0.71) GAAKMT2AHSD17B10HDAC8HPGD
SCHEMBL3036729 0.81 MLYCD (0.59) GAAKMT2AHSD17B10HDAC8HPGD

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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 GAA 2554/4885KMT2A 32/4885HSD17B10 427/4885

“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.