SCHEMBL3036033

SCHEMBL3036033

O=C(NO)c1ccc2cc(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
P2RX1 P51575 4/20 0.53
TRPA1 O75762 2/20 0.51
RXFP1 Q9HBX9 1/20 0.49
XPO1 O14980 1/20 0.48
MAPT P10636 2/20 0.48
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PLD2 O14939 1/20 0.46

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
SCHEMBL3028317 0.85 P2RX1 (0.61) HDAC3HDAC6HDAC8HDAC1HDAC2
SCHEMBL3034522 0.83 MAPT (0.72) HDAC3HDAC6HDAC8P2RX1RXFP1
SCHEMBL3028795 0.80 HDAC6 (0.72) HDAC3HDAC6HDAC8MAPTMEN1
SCHEMBL683803 0.80 PTGS1 (0.68) HDAC3HDAC6HDAC8P2RX1TRPA1
SCHEMBL7745683 0.79 P2RX1 (0.82) P2RX1TRPA1RXFP1MAPTMEN1
SCHEMBL3036039 0.79 MAPT (0.70) HDAC3HDAC6HDAC8HDAC1HDAC2
SCHEMBL3024518 0.79 MEN1 (0.63) HDAC3HDAC6HDAC8MAPTPLG
SCHEMBL3029995 0.79 HDAC8 (0.56) HDAC3HDAC6HDAC8HDAC1HDAC2
SCHEMBL3034537 0.78 NPC1 (0.63) HDAC6HDAC8HDAC1HDAC2MEN1
SCHEMBL30554615 0.77 P2RX1 (0.65) HDAC3HDAC6HDAC8P2RX1TRPA1

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 HDAC3 8/4885HDAC6 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.