SCHEMBL975488

SCHEMBL975488

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)C(=O)Nc1cccc3cnccc13)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPV1 Q8NER1 5/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL976539 0.92 TRPV1 (0.45) F10HDAC3HDAC1HDAC6TRPV1
SCHEMBL978355 0.90 KMT2A (0.42) F10HDAC3HDAC1HDAC6TRPV1
SCHEMBL978057 0.81 TRPV1 (0.39) F10HDAC3HDAC1HDAC6TRPV1
SCHEMBL976329 0.81 HDAC1 (0.48) F10HDAC3HDAC1HDAC6ROCK2
SCHEMBL977483 0.81 F10 (0.48) F10HDAC3HDAC1HDAC6TRPV1
SCHEMBL977886 0.80 F10 (0.50) F10HDAC3HDAC1HDAC6
SCHEMBL976251 0.80 KDM4E (0.42) F10HDAC3HDAC1HDAC6
SCHEMBL13822857 0.79 F10 (0.53) F10HDAC3HDAC1HDAC6
SCHEMBL976464 0.79 ALDH1A1 (0.42) F10HDAC3HDAC1HDAC6HTT
SCHEMBL976716 0.79 POLB (0.46) 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 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 F10 2726/4885HDAC3 3/4885HDAC1 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.