SCHEMBL978475

SCHEMBL978475

CSc1cccc(NC(=O)N2CCc3nc(C(=O)Nc4ccccc4N)sc3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
F10 P00742 13/20 0.46
MAPT P10636 2/20 0.46
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL979080 0.91 LMNA (0.44) F10MAPTHDAC3HDAC1HDAC6
SCHEMBL977408 0.87 F10 (0.46) F10HDAC3HDAC1HDAC6
SCHEMBL976159 0.87 F10 (0.62) NPC1RAB9AF10MAPTHDAC3
Hydrochloric Acid SCHEMBL977810 0.86 F10 (0.45) F10HDAC3HDAC1HDAC6
SCHEMBL977364 0.86 F10 (0.45) F10HDAC3HDAC1HDAC6
SCHEMBL977922 0.85 GRM5 (0.49) F10MAPTHDAC1
SCHEMBL976913 0.85 F10 (0.48) F10HDAC3HDAC1KDM4E
SCHEMBL975313 0.84 F10 (0.51) NPC1RAB9AF10HDAC3HDAC1
SCHEMBL975024 0.84 F10 (0.50) NPC1RAB9AF10HDAC3HDAC1
SCHEMBL977872 0.83 HDAC3 (0.45) F10HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 NPC1 2881/4885RAB9A 1395/4885F10 2726/4885

“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.