SCHEMBL977860

SCHEMBL977860

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccccc1OC(F)(F)F)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
CFD P00746 4/20 0.39
SCN9A Q15858 2/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
LHCGR P22888 1/20 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
SCHEMBL978079 0.89 ALDH1A1 (0.36) MAPTTRPM8LHCGR
SCHEMBL978518 0.87 LHCGR (0.42) MAPTTRPM8TP53CYP2C9LHCGR
SCHEMBL978816 0.81 PTGDR2 (0.35)
SCHEMBL979157 0.80 TRPM8 (0.46) TRPM8CYP2C9LHCGR
SCHEMBL980550 0.80 TRPV1 (0.43)
SCHEMBL977977 0.79 LHCGR (0.38) TRPM8CYP2C9LHCGR
SCHEMBL977839 0.79 NPC1 (0.39) MAPTPOLBTRPM8TP53LHCGR
SCHEMBL975341 0.79 TP53 (0.41) MAPTPOLBTP53LHCGR
SCHEMBL977879 0.79 LHCGR (0.44) MAPTTP53CYP2C9LHCGR
SCHEMBL978995 0.79 LHCGR (0.47) TRPM8CYP2C9LHCGR

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 MAPT 2144/4885POLB 1365/4885CFD 4713/4885

“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.