SCHEMBL3037590

SCHEMBL3037590

CC(NC(=O)c1ccc2cc(C(=O)NO)ccc2c1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
PPARG P37231 3/20 0.54
ROCK2 O75116 7/20 0.52
ROCK1 Q13464 6/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.52

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
SCHEMBL3037611 0.87 ALDH1A1 (0.62) KMT2ALMNAALDH1A1MEN1PPARG
SCHEMBL3024346 0.86 HDAC8 (0.57) KMT2AALDH1A1MEN1
SCHEMBL2405077 0.86 MMP9 (0.58) NPC1KMT2ALMNAALDH1A1MEN1
SCHEMBL3036088 0.86 ALDH1A1 (0.64) NPC1KMT2ALMNAALDH1A1HTT
SCHEMBL12279783 0.83 NPC1 (0.60) NPC1KMT2ALMNAALDH1A1HTT
SCHEMBL3034483 0.82 HDAC8 (0.56) KMT2AALDH1A1MEN1
SCHEMBL1644966 0.80 KMT2A (0.51) NPC1KMT2ALMNAALDH1A1HTT
SCHEMBL3030047 0.79 HPGDS (0.51)
SCHEMBL13485817 0.78 HDAC6 (0.61)
SCHEMBL13494840 0.78 NPC1 (0.74) NPC1KMT2ALMNAALDH1A1HTT

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 4 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
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP disclosed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO 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 NPC1 2497/4885KMT2A 32/4885LMNA 1918/4885

“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.