SCHEMBL976754

SCHEMBL976754

Nc1ccc(F)cc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
FAAH O00519 1/20 0.42
F10 P00742 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 1/20 0.40
TP53 P04637 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
SCHEMBL976589 0.90 SMN1; SMN2 (0.45) MAPTNPC1RAB9ASMN1; SMN2F10
SCHEMBL978444 0.84 HDAC2 (0.47) HDAC2ALOX15SMN1; SMN2F10NAMPT
SCHEMBL977928 0.82 F10 (0.57) HDAC2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL975320 0.82 HDAC1 (0.41) MAPTNPC1RAB9AF10KMT2A
SCHEMBL978422 0.81 HDAC2 (0.51) HDAC2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL978872 0.79 F10 (0.42) HDAC2NPC1RAB9AF10
SCHEMBL976900 0.78 F10 (0.62) HDAC2MAPTNPC1RAB9AF10
SCHEMBL18374856 0.77 HDAC2 (0.63) HDAC2
SCHEMBL976014 0.77 F10 (0.46) HDAC2SMN1; SMN2F10KMT2AMEN1
SCHEMBL977758 0.75 F10 (0.55) HDAC2MAPTNPC1RAB9AF10

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 HDAC2 6/4885MAPT 2144/4885NPC1 2881/4885

“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.