SCHEMBL976109

SCHEMBL976109

Cc1ccc(S(=O)(=O)N2CCc3nc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HDAC2 Q92769 1/20 0.41
F2 P00734 3/20 0.40
F9 P00740 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
PRSS3 P35030 1/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CD4 P01730 3/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 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
SCHEMBL976543 0.88 F10 (0.57) F10SMN1; SMN2KDM4EF2F9
SCHEMBL976355 0.87 F10 (0.45) F10SMN1; SMN2F2F9PRSS1
SCHEMBL978557 0.83 F10 (0.55) F10ALDH1A1SMN1; SMN2KDM4EHDAC2
SCHEMBL977988 0.79 F10 (0.46) F10HDAC2F2
SCHEMBL976270 0.79 NPC1 (0.44) F10ALDH1A1SMN1; SMN2KDM4EHDAC2
SCHEMBL975030 0.78 SMN1; SMN2 (0.47) F10ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL978019 0.78 F10 (0.51) F10ALDH1A1SMN1; SMN2KDM4EHDAC2
Sulfuric Acid SCHEMBL977462 0.77 F10 (0.49) F10ALDH1A1SMN1; SMN2KDM4EHDAC2
SCHEMBL977766 0.76 PTGS1 (0.46) F10HDAC2
SCHEMBL980523 0.76 KMT2A (0.42) F10ALDH1A1SMN1; SMN2KDM4EF2

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 2726/4885ALDH1A1 912/4885SMN1; SMN2 4506/4885

“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.