SCHEMBL3028601

SCHEMBL3028601

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc2cc(C(=O)NO)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.69
PPARD Q03181 4/20 0.69
MAPT P10636 4/20 0.61
KDM1A O60341 2/20 0.53
HDAC1 Q13547 2/20 0.53
FFAR1 O14842 7/20 0.53
PPARG P37231 2/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 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
SCHEMBL3026046 0.86 LMNA (0.58) PPARAPPARDMAPTHDAC1NPC1
SCHEMBL1553175 0.73 PPARD (0.73) PPARAPPARDMAPTFFAR1PPARG
SCHEMBL1569198 0.73 LMNA (0.60) PPARAPPARDMAPTHDAC1NPC1
SCHEMBL3029995 0.73 HDAC8 (0.56) KDM1AHDAC1ALDH1A1GAA
SCHEMBL5023897 0.72 PPARD (0.75) PPARAPPARDMAPTFFAR1PPARG
SCHEMBL3033902 0.72 MLYCD (0.69) HDAC1GAA
SCHEMBL1553162 0.71 ALDH1A1 (0.62) PPARAPPARDMAPTFFAR1PPARG
SCHEMBL1553892 0.71 PPARD (0.73) PPARAPPARDFFAR1PPARG
SCHEMBL1508353 0.71 NPC1 (0.58) PPARAPPARDMAPTFFAR1PPARG
SCHEMBL6572354 0.71 HDAC6 (0.72) PPARAKDM1AHDAC1PPARG

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 2 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

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 PPARA 692/4885PPARD 1396/4885MAPT 974/4885

“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.