SCHEMBL977828

SCHEMBL977828

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)C=Cc1ccc3c(c1)OCO3)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
TRPV1 Q8NER1 1/20 0.45
HPGD P15428 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL977826 1.00 MAOB (0.46) MAOBKDM4EALDH1A1LMNARAB9A
SCHEMBL976116 0.87 HDAC1 (0.42) HDAC3HDAC1HDAC6
SCHEMBL976114 0.87 HDAC1 (0.42) HDAC3HDAC1HDAC6
SCHEMBL976589 0.84 SMN1; SMN2 (0.45) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL976472 0.83 OGA (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL975320 0.83 HDAC1 (0.41) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL976675 0.82 HDAC1 (0.49) HDAC3HDAC1HDAC6
SCHEMBL976676 0.82 HDAC1 (0.49) HDAC3HDAC1HDAC6
SCHEMBL978872 0.81 F10 (0.42) RAB9ANPC1HDAC3HDAC1HDAC6
SCHEMBL978295 0.81 F10 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 MAOB 1075/4885KDM4E 49/4885ALDH1A1 912/4885

“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.