SCHEMBL15726388

SCHEMBL15726388

Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3)cc2)no1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.74
HDAC6 Q9UBN7 6/20 0.74
HDAC1 Q13547 1/20 0.74
SMYD3 Q9H7B4 1/20 0.67
MAPK14 Q16539 2/20 0.60
PLK1 P53350 1/20 0.56
DRD3 P35462 3/20 0.54
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
USP30 Q70CQ3 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 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
SCHEMBL10211690 0.93 HDAC4 (0.74) HDAC4HDAC6HDAC1SMYD3MAPK14
SCHEMBL15726392 0.93 HDAC4 (0.74) HDAC4HDAC6HDAC1SMYD3MAPK14
SCHEMBL14645707 0.85 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14645879 0.85 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL19701279 0.80 SMYD3 (1.00) HDAC4HDAC6SMYD3MAPK14PLK1
SCHEMBL21489870 0.80 SMYD3 (1.00) HDAC4HDAC6SMYD3MAPK14PLK1
SCHEMBL14645721 0.79 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14645883 0.79 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL17888351 0.79 NPC1 (0.60) HDAC4HDAC6HDAC1
SCHEMBL15726370 0.78 HDAC4 (0.71) HDAC4HDAC6HDAC1SMYD3MAPK14

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-9056843-B2 Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-06-16 US disclosed
US-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-05-22 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-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE HDAC4, HDAC5, HDAC6 HDAC4 1/4885HDAC6 3/4885HDAC1 5/4885

“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.