SCHEMBL977207

SCHEMBL977207

Nc1ccccc1NC(=O)c1nc2c(s1)CN(c1nccc(-c3cccnc3)n1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.50
HDAC3 O15379 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
NCOR1 O75376 1/20 0.48
CYP3A4 P08684 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PIK3CG P48736 1/20 0.45
F10 P00742 5/20 0.42
ABL1 P00519 3/20 0.42
PDGFRB P09619 3/20 0.42
KDR P35968 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL978381 0.87 F10 (0.47) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL976751 0.78 PDGFRB (0.51) HDAC1HDAC3HDAC2HDAC11HDAC8
Hydrochloric Acid SCHEMBL976357 0.77 PDGFRB (0.50) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL976675 0.77 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC6PIK3CG
SCHEMBL976676 0.77 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC6PIK3CG
SCHEMBL979703 0.76 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL977173 0.75 PIK3CG (0.43) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL975040 0.75 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL978017 0.75 HDAC1 (0.44) HDAC1F10MAPT
SCHEMBL31143494 0.75 HDAC1 (0.44) HDAC1F10MAPT

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 10 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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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 1/4885HDAC3 3/4885HDAC2 6/4885

“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.