SCHEMBL3029153

SCHEMBL3029153

COc1ccc(CNC(=O)c2ccc3ccc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.71
HDAC6 Q9UBN7 5/20 0.71
HDAC8 Q9BY41 4/20 0.71
HDAC2 Q92769 3/20 0.71
HDAC5 Q9UQL6 3/20 0.71
HDAC11 Q96DB2 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC4 P56524 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
KDM1A O60341 4/20 0.65
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NR1H4 Q96RI1 2/20 0.60
MEN1 O00255 1/20 0.60
EPHX2 P34913 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3035750 0.87 MAPT (0.61) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3018285 0.86 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3038715 0.86 MMP13 (0.72) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3031939 0.85 NPC1 (0.80) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3028816 0.84 RAB9A (0.63) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL6195180 0.84 NR1H4 (0.65) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL10207296 0.83 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3035034 0.83 HDAC6 (0.74) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL8291127 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC5
SCHEMBL3035661 0.83 MMP13 (0.76) HDAC1HDAC6HDAC8HDAC2HDAC5

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 HDAC1 5/4885HDAC6 31/4885HDAC8 7/4885

“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.