SCHEMBL3032487

SCHEMBL3032487

O=C(NO)c1cccc(-c2cccc(C(=O)NCCc3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.63
HDAC6 Q9UBN7 5/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
GPR52 Q9Y2T5 5/20 0.57
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
NAMPT P43490 1/20 0.55
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
PARP1 P09874 1/20 0.52
SNCA P37840 1/20 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
SCHEMBL3028595 0.88 NAMPT (0.58) CDK8HDAC6HDAC2HDAC8HDAC3
SCHEMBL3031650 0.87 NAMPT (0.57) CDK8HDAC6HDAC2HDAC8HDAC3
SCHEMBL3233030 0.85 NAMPT (0.64) CDK8HDAC6HDAC2HDAC8HDAC3
SCHEMBL3029792 0.83 HDAC8 (0.86) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL3026600 0.83 NPC1 (0.69) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL3243689 0.82 ALDH1A1 (0.68) CDK8HDAC6HDAC2HDAC8HDAC3
SCHEMBL3017734 0.81 HDAC2 (0.65) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL5943847 0.79 HDAC8 (0.78) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL3029920 0.79 HDAC8 (0.68) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL3573178 0.79 KMT2A (0.69) CDK8HDAC6HDAC2HDAC8ALDH1A1

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 6 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
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 CDK8 774/4885HDAC6 31/4885HDAC2 4/4885

“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.