SCHEMBL977409

SCHEMBL977409

CN(C)c1cccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2ccccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 2/20 0.34
HIF1A Q16665 1/20 0.34
LHCGR P22888 2/20 0.34

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
Hydrochloric Acid SCHEMBL979201 0.99 LIMK1 (0.36) LIMK1LIMK2ROCK2MEN1KMT2A
SCHEMBL980003 0.91 MAPT (0.38) MEN1KMT2ALHCGR
SCHEMBL976015 0.86 MAPT (0.38) ROCK2MEN1KMT2ALHCGR
SCHEMBL980145 0.86 PTGDR2 (0.35)
SCHEMBL976914 0.85 CASP3 (0.44) ROCK2
SCHEMBL977839 0.85 NPC1 (0.39) LHCGR
SCHEMBL976819 0.85 LHCGR (0.37) LHCGR
SCHEMBL975341 0.84 TP53 (0.41) MEN1KMT2ALHCGR
SCHEMBL979157 0.84 TRPM8 (0.46) LHCGR
SCHEMBL976752 0.83 TRPM8 (0.47) LHCGR

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 3 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 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 LIMK1 4079/4885LIMK2 3358/4885ROCK2 2873/4885

“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.