SCHEMBL7218555

SCHEMBL7218555

CCCCc1nnc(-c2ccc(C(=O)NC[C@@H]3CCCC3(C)C)cc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK14 Q16539 5/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MPL P40238 1/20 0.33

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
SCHEMBL7218637 0.84 DDX3X (0.44) HDAC3HDAC6MAPK14
SCHEMBL7213178 0.83 MAPK14 (0.33) MAPK14DRD2DRD4DRD3SMN1; SMN2
SCHEMBL7213194 0.81 MAPK14 (0.52) HDAC6MAPK14
SCHEMBL7219299 0.80 MAPK14 (0.37) MAPK14
SCHEMBL7213373 0.79 MAPK14 (0.36) HDAC6MAPK14SMN1; SMN2
SCHEMBL7214965 0.78 NPC1 (0.41) SMN1; SMN2
SCHEMBL7213379 0.77 NPC1 (0.45)
SCHEMBL7215115 0.76 ALDH1A1 (0.39) HDAC6
SCHEMBL7213350 0.74 KMT2A (0.43) HDAC6SMN1; SMN2
SCHEMBL7213367 0.74 KMT2A (0.43) HDAC6SMN1; SMN2

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-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 HDAC3 677/4885HDAC1 401/4885HDAC2 807/4885

“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.