SCHEMBL976589

SCHEMBL976589

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NAMPT P43490 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HDAC1 Q13547 3/20 0.42
P2RY14 Q15391 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F10 P00742 5/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL975320 0.92 HDAC1 (0.41) MAPTNPC1RAB9ATSHRHDAC1
SCHEMBL976754 0.90 HDAC2 (0.47) SMN1; SMN2NAMPTMAPTNPC1RAB9A
SCHEMBL978872 0.89 F10 (0.42) NPC1RAB9AHDAC1F10HDAC3
SCHEMBL977976 0.85 HDAC3 (0.51) SMN1; SMN2NAMPTNPC1RAB9AALDH1A1
SCHEMBL975313 0.84 F10 (0.51) SMN1; SMN2NAMPTNPC1RAB9AALDH1A1
SCHEMBL977828 0.84 MAOB (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL977826 0.84 MAOB (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL976472 0.84 OGA (0.41) SMN1; SMN2MAPTNPC1RAB9AHDAC1
SCHEMBL13822838 0.84 HDAC3 (0.51) HDAC1F10HDAC3HDAC6
SCHEMBL977872 0.83 HDAC3 (0.45) NAMPTHDAC1F10HDAC3HDAC6

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 8 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

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 SMN1; SMN2 4506/4885NAMPT 485/4885MAPT 2144/4885

“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.