SCHEMBL3031650

SCHEMBL3031650

O=C(NO)c1ccc2ccc(C(=O)NCCc3cccc(C(F)(F)F)c3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
HDAC6 Q9UBN7 7/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MLYCD O95822 1/20 0.52
CDK8 P49336 1/20 0.52
DRD4 P21917 1/20 0.50
CNR1 P21554 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
SCHEMBL3028595 0.96 NAMPT (0.58) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3036345 0.88 MLYCD (0.67) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3032487 0.87 CDK8 (0.63) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3018217 0.84 HDAC6 (0.60) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3033902 0.84 MLYCD (0.69) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3036988 0.82 HDAC1 (0.62) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3233030 0.81 NAMPT (0.64) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3033993 0.81 HDAC6 (0.61) NAMPTHDAC6HDAC8HDAC2HDAC1
SCHEMBL3034370 0.79 NPC1 (0.65) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5176911 0.79 NAMPT (0.57) NAMPTROCK2ROCK1ALDH1A1POLB

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 NAMPT 347/4885HDAC6 31/4885HDAC8 7/4885

“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.