SCHEMBL3036088

SCHEMBL3036088

CC(NC(=O)c1ccc2cc(C(=O)NO)ccc2c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 3/20 0.64
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
PKM P14618 1/20 0.60
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
CDK1 P06493 1/20 0.55
CSF1R P07333 1/20 0.55
PRKACA P17612 1/20 0.55
FLT1 P17948 1/20 0.55

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
SCHEMBL2405077 0.92 MMP9 (0.58) ALDH1A1LMNANPC1GAAPKM
SCHEMBL3037611 0.87 ALDH1A1 (0.62) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL3024346 0.86 HDAC8 (0.57) ALDH1A1HDAC1HDAC3MEN1KMT2A
SCHEMBL3037590 0.86 NPC1 (0.61) ALDH1A1LMNANPC1HTTROCK2
SCHEMBL2407415 0.84 SMN1; SMN2 (0.77) ALDH1A1LMNANPC1GAAHDAC1
SCHEMBL3032715 0.84 ROCK1 (0.64) MAPK1ROCK2RPS6KA5MAP4K4CDK1
SCHEMBL3023784 0.84 ROCK1 (0.64) MAPK1ROCK2RPS6KA5MAP4K4CDK1
SCHEMBL3032027 0.82 NPSR1 (0.55) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL3034483 0.82 HDAC8 (0.56) ALDH1A1HDAC1HDAC3SMN1; SMN2MEN1
SCHEMBL3030047 0.81 HPGDS (0.51) HDAC1HDAC3HDAC4

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
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 claimed
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 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 ALDH1A1 1419/4885LMNA 1918/4885NPC1 2497/4885

“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.