SCHEMBL977804

SCHEMBL977804

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=S)NC1CCC(c3cccnc3)CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
F10 P00742 10/20 0.37
PIK3CG P48736 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GRM5 P41594 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL975759 0.93 ALDH1A1 (0.40) ALDH1A1L3MBTL1HDAC1HDAC3HDAC2
SCHEMBL977921 0.92 ALDH1A1 (0.39) ALDH1A1L3MBTL1HDAC1HDAC3HDAC2
SCHEMBL978096 0.84 HDAC1 (0.42) HDAC1HDAC3HDAC2F10HDAC4
SCHEMBL979703 0.84 HDAC1 (0.43) HDAC1HDAC3HDAC2F10PIK3CG
SCHEMBL976020 0.84 HDAC2 (0.42) HDAC1HDAC3HDAC2F10HDAC6
SCHEMBL977987 0.83 HDAC1 (0.41) HDAC1HDAC3HDAC2F10HDAC4
SCHEMBL976751 0.79 PDGFRB (0.51) HDAC1HDAC3HDAC2F10PIK3CG
SCHEMBL978355 0.79 KMT2A (0.42) ALDH1A1HDAC1HDAC3F10HDAC6
SCHEMBL976807 0.79 HDAC1 (0.47) HDAC1HDAC3HDAC2F10HDAC6
Hydrochloric Acid SCHEMBL976357 0.78 PDGFRB (0.50) HDAC1HDAC3HDAC2F10PIK3CG

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 ALDH1A1 912/4885L3MBTL1 3669/4885HDAC1 1/4885

“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.