SCHEMBL976539

SCHEMBL976539

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1cccc3cnccc13)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
KDM4E B2RXH2 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.41
F10 P00742 9/20 0.41
ROCK2 O75116 1/20 0.40
CCR2 P41597 1/20 0.40
ROCK1 Q13464 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 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
SCHEMBL978355 0.92 KMT2A (0.42) TRPV1KDM4EALDH1A1F10HDAC3
SCHEMBL975488 0.92 F10 (0.40) TRPV1F10ROCK2CCR2ROCK1
SCHEMBL978057 0.89 TRPV1 (0.39) TRPV1KDM4ETAAR1F10HDAC3
SCHEMBL977483 0.88 F10 (0.48) TRPV1ALDH1A1F10HDAC3HDAC1
SCHEMBL977872 0.86 HDAC3 (0.45) F10HDAC3HDAC1HDAC6
SCHEMBL976751 0.85 PDGFRB (0.51) F10HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL976357 0.84 PDGFRB (0.50) F10HDAC3HDAC1HDAC6
SCHEMBL978228 0.82 F10 (0.47) F10HDAC3HDAC1HDAC6
SCHEMBL975040 0.81 HDAC1 (0.49) F10ROCK2HDAC3HDAC1HDAC6
SCHEMBL13822836 0.81 F10 (0.47) F10HDAC3HDAC1HDAC6

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 9 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
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 TRPV1 4524/4885KDM4E 49/4885TAAR1 3949/4885

“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.