SCHEMBL3033837

SCHEMBL3033837

CC(C)CNC(=O)c1ccc2ccc(C(=O)NO)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.55
HDAC6 Q9UBN7 4/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MLYCD O95822 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 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
SCHEMBL3028838 0.95 KMT2A (0.63) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3454176 0.86 KMT2A (0.59) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL16866256 0.86 GAA (0.68) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3036729 0.82 MLYCD (0.59) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3037057 0.82 HDAC8 (0.51) KMT2AGAAHSD17B10HPGDHDAC6
SCHEMBL3023796 0.80 GAA (0.73) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL17865783 0.79 MLYCD (0.73) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3028444 0.78 HDAC8 (0.50) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3017701 0.78 HPGD (0.57) HPGDKDM4EHDAC6HDAC1HDAC8
SCHEMBL18082340 0.76 GAA (0.67) KMT2AGAAHSD17B10HPGDKDM4E

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 KMT2A 32/4885GAA 2554/4885HSD17B10 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.