SCHEMBL975382

SCHEMBL975382

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)NC1CCNCC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.34
CHEK1 O14757 1/20 0.33
HTR4 Q13639 2/20 0.33
SMO Q99835 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KHK P50053 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL978097 0.85 TRPM8 (0.35) PTGDR2CHRM3NPC1RAB9A
SCHEMBL978816 0.84 PTGDR2 (0.35) PTGDR2
SCHEMBL979157 0.80 TRPM8 (0.46)
SCHEMBL976158 0.80 LMNA (0.46) PARP1PTGDR2
SCHEMBL977839 0.79 NPC1 (0.39) NPC1RAB9A
SCHEMBL977977 0.79 LHCGR (0.38)
SCHEMBL976324 0.79 HHAT (0.37) PTGDR2NPC1RAB9A
SCHEMBL976752 0.78 TRPM8 (0.47)
SCHEMBL976721 0.78 PTGDR2 (0.38) PTGDR2
SCHEMBL977879 0.77 LHCGR (0.44) NPC1RAB9A

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 5 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
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 PARP1 187/4885CHEK1 2405/4885HTR4 2691/4885

“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.