SCHEMBL976711

SCHEMBL976711

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1ccccc1OC(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HDAC2 Q92769 1/20 0.40
F10 P00742 9/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
KDM4E B2RXH2 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL976464 0.92 ALDH1A1 (0.42) ALDH1A1HDAC2F10HTTSMN1; SMN2
SCHEMBL975024 0.88 F10 (0.50) HDAC2F10HDAC3HDAC1KDM4E
SCHEMBL976228 0.88 F10 (0.46) F10HDAC3HDAC1KDM4EHDAC6
SCHEMBL977859 0.88 POLB (0.48) HDAC2F10HDAC3HDAC1POLB
SCHEMBL978130 0.88 HDAC2 (0.50) HDAC2HDAC3HDAC1
SCHEMBL978753 0.88 HDAC2 (0.45) ALDH1A1HDAC2F10HDAC3HDAC1
SCHEMBL978737 0.84 HDAC3 (0.49) F10HDAC3HDAC1KDM4EHDAC6
SCHEMBL978228 0.82 F10 (0.47) HDAC2F10HDAC3HDAC1HDAC6
SCHEMBL976409 0.82 F10 (0.49) HDAC2F10HDAC3HDAC1KDM4E
SCHEMBL976453 0.82 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2HDAC3HDAC1

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 7 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-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 912/4885HDAC2 6/4885F10 2726/4885

“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.