SCHEMBL976461

SCHEMBL976461

CN(C)c1cccc(NC(=O)N2CCc3nc(C(=O)N(C)c4ccccc4N)sc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
NAMPT P43490 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
F10 P00742 2/20 0.37
GRM5 P41594 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDR P35968 1/20 0.35
PDE10A Q9Y233 1/20 0.35
DGAT1 O75907 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 2/20 0.34

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
SCHEMBL977408 0.86 F10 (0.46) LIMK1LIMK2NAMPTHDAC3HDAC1
Hydrochloric Acid SCHEMBL977810 0.85 F10 (0.45) LIMK1LIMK2NAMPTHDAC3HDAC1
SCHEMBL978397 0.76 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC6F10
SCHEMBL977809 0.75 F10 (0.45) HDAC3HDAC1HDAC6F10
SCHEMBL976014 0.75 F10 (0.46) NAMPTHDAC3HDAC1HDAC6F10
SCHEMBL975168 0.73 F10 (0.49) NAMPTHDAC3HDAC1HDAC6F10
SCHEMBL976159 0.73 F10 (0.62) HDAC3HDAC1HDAC6NPC1RAB9A
SCHEMBL978475 0.73 NPC1 (0.48) HDAC3HDAC1HDAC6NPC1RAB9A
SCHEMBL977364 0.72 F10 (0.45) HDAC3HDAC1HDAC6F10
SCHEMBL976214 0.71 F10 (0.45) NAMPTHDAC3HDAC1HDAC6F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed

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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 LIMK1 4079/4885LIMK2 3358/4885NAMPT 485/4885

“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.