SCHEMBL3035635

SCHEMBL3035635

COc1ccc(CCNC(=O)c2cccc(-c3cccc(C(=O)NO)c3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
SMPD1 P17405 1/20 0.59
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL5943749 0.95 SMN1; SMN2 (0.61) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL3034285 0.90 HDAC8 (0.59) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL3028816 0.86 RAB9A (0.63) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL6570625 0.86 RAB9A (0.70) HDAC2HDAC8HDAC6HDAC1KMT2A
SCHEMBL29818011 0.85 RAB9A (0.71) KMT2ASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL3031951 0.85 RAB9A (0.65) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL3029920 0.85 HDAC8 (0.68) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL3029792 0.84 HDAC8 (0.86) HDAC2HDAC8HDAC6HDAC1HDAC5
SCHEMBL12495939 0.84 KDM4E (0.65) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL3035750 0.84 MAPT (0.61) HDAC2HDAC8HDAC6HDAC1HDAC5

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 HDAC2 4/4885HDAC8 7/4885HDAC6 31/4885

“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.