SCHEMBL976163

SCHEMBL976163

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccc(N3CCOCC3)nc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
DGAT1 O75907 8/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ATR Q13535 1/20 0.39
STAT3 P40763 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
MTOR P42345 1/20 0.37
BTK Q06187 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL976880 0.93 LHCGR (0.37) CYP1A2DGAT1KCNQ3KCNQ2BTK
SCHEMBL976170 0.91 L3MBTL1 (0.45) DGAT1RAB9ASMN1; SMN2MTOR
SCHEMBL3696425 0.83 LHCGR (0.44) RAB9ANPC1MAPTKCNH2
SCHEMBL976819 0.83 LHCGR (0.37) MTORKCNH2
SCHEMBL976752 0.82 TRPM8 (0.47) KCNH2
SCHEMBL977839 0.82 NPC1 (0.39) RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL977977 0.82 LHCGR (0.38) KCNH2
SCHEMBL978585 0.82 RAB9A (0.45) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL979157 0.81 TRPM8 (0.46) KCNH2
SCHEMBL980003 0.80 MAPT (0.38) RAB9ASMN1; SMN2NPC1LMNAMAPT

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 CYP1A2 2147/4885DGAT1 4159/4885RAB9A 1395/4885

“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.