SCHEMBL976409

SCHEMBL976409

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)C(=O)Nc1cccc(OC(F)F)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.49
KDM4E B2RXH2 1/20 0.45
GRM4 Q14833 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC2 Q92769 1/20 0.39
F2 P00734 1/20 0.38
F9 P00740 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL975024 0.92 F10 (0.50) F10KDM4EGRM4HDAC3HDAC1
SCHEMBL977294 0.92 F10 (0.48) F10HDAC3HDAC1HDAC6HDAC2
SCHEMBL976464 0.89 ALDH1A1 (0.42) F10KDM4EHDAC3HDAC1HDAC6
SCHEMBL976228 0.84 F10 (0.46) F10KDM4EHDAC3HDAC1HDAC6
SCHEMBL979824 0.83 F10 (0.49) F10HDAC3HDAC1HDAC6HDAC2
SCHEMBL978737 0.83 HDAC3 (0.49) F10KDM4EHDAC3HDAC1HDAC6
SCHEMBL979638 0.83 F10 (0.56) F10HDAC3HDAC1HDAC6HDAC2
SCHEMBL977382 0.83 F10 (0.44) F10HDAC3HDAC1HDAC6F2
SCHEMBL976379 0.83 F10 (0.46) F10KDM4EHDAC3HDAC1HDAC6
SCHEMBL976159 0.82 F10 (0.62) F10HDAC3HDAC1HDAC6F2

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 F10 2726/4885KDM4E 49/4885GRM4 2331/4885

“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.