SCHEMBL979121

SCHEMBL979121

COc1ccc(NCC(=O)N2CCc3nc(C(=O)Nc4ccccc4N)sc3C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.51
F10 P00742 16/20 0.45
PIK3CG P48736 1/20 0.44
F2 P00734 3/20 0.42
F9 P00740 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
F7 P08709 3/20 0.42
PRSS3 P35030 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL976077 0.89 HDAC1 (0.47) HDAC1F10PIK3CGF2F9
Hydrochloric Acid SCHEMBL977141 0.88 HDAC1 (0.47) HDAC1F10PIK3CGF2F9
SCHEMBL977875 0.88 HDAC1 (0.46) HDAC1F10PIK3CGF2F9
SCHEMBL975403 0.87 F10 (0.58) HDAC1F10F2F9PRSS1
SCHEMBL977923 0.82 F10 (0.49) F10F2F9PRSS1PRSS2
SCHEMBL978516 0.81 F10 (0.52) HDAC1F10F2F9PRSS1
SCHEMBL978872 0.81 F10 (0.42) HDAC1F10HDAC3HDAC6
SCHEMBL975563 0.81 F10 (0.48) HDAC1F10F2F9PRSS1
SCHEMBL975007 0.79 F10 (0.58) HDAC1F10F2F9PRSS1
SCHEMBL976814 0.79 F10 (0.54) F10F2F9PRSS1PRSS2

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 HDAC1 1/4885F10 2726/4885PIK3CG 1888/4885

“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.