SCHEMBL3028619

SCHEMBL3028619

NC(=O)c1ccc(-c2cccc(C(=O)NCC3CCCO3)c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 6/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4763832 0.77 HPGD (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL28728993 0.74 HPGD (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13162627 0.73 MAPT (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13162949 0.73 MAPT (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13162950 0.73 MAPT (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3023737 0.72 POLB (0.55) KMT2ASMN1; SMN2HPGDGAAKDM4E
SCHEMBL3033299 0.72 ACKR3 (0.46)
SCHEMBL8404659 0.72 KMT2A (0.81) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3453931 0.72 HNF4A (0.53) ALDH1A1HPGDTSHRCYP2C19KDM4E
SCHEMBL763451 0.71 KMT2A (0.86) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 KMT2A 32/4885MEN1 2346/4885ALDH1A1 1419/4885

“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.