SCHEMBL3034726

SCHEMBL3034726

COc1ccc(CCNC(=O)c2ccc3cc(C(=O)NO)ccc3c2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TSHR P16473 1/20 0.55
XDH P47989 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
SMPD1 P17405 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3018090 0.87 GAA (0.61) GAANPC1RAB9ACA1CA2
SCHEMBL3033626 0.86 HDAC8 (0.54) GAANPC1RAB9ACA1CA2
SCHEMBL3028816 0.84 RAB9A (0.63) NPC1RAB9ACA1CA2MAPT
SCHEMBL3035750 0.82 MAPT (0.61) NPC1RAB9ACA1CA2MAPT
SCHEMBL3032563 0.82 NAMPT (0.55) NPC1RAB9ACA1CA2CA7
SCHEMBL13958537 0.81 GAA (0.58) GAANPC1RAB9ACA1CA2
SCHEMBL3037525 0.80 HDAC6 (0.60) NPC1RAB9AHDAC1HDAC6HDAC8
SCHEMBL3996984 0.79 SMN1; SMN2 (0.59) CA1CA2CA9MAPTHDAC1
SCHEMBL3780865 0.79 HDAC1 (0.59) CA1CA2CA9MAPTMEN1
SCHEMBL15319511 0.79 CA12 (0.56) CA1CA2CA9L3MBTL1MAPT

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 GAA 2554/4885NPC1 2497/4885RAB9A 4531/4885

“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.