SCHEMBL977922

SCHEMBL977922

N#Cc1cccc(NC(=O)N2CCc3nc(C(=O)Nc4ccccc4N)sc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
RECQL P46063 1/20 0.48
ROCK2 O75116 7/20 0.47
HDAC1 Q13547 1/20 0.47
MPO P05164 1/20 0.45
MAPT P10636 1/20 0.45
NAMPT P43490 1/20 0.44
F10 P00742 1/20 0.44
GPR142 Q7Z601 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL978479 0.91 NAMPT (0.45) GRM5ROCK2HDAC1NAMPTF10
SCHEMBL976159 0.85 F10 (0.62) GRM5HDAC1MAPTF10CYP1A2
SCHEMBL977408 0.85 F10 (0.46) HDAC1NAMPTF10
SCHEMBL978475 0.85 NPC1 (0.48) HDAC1MAPTF10
SCHEMBL977364 0.84 F10 (0.45) HDAC1F10
Hydrochloric Acid SCHEMBL977810 0.84 F10 (0.45) HDAC1NAMPTF10
SCHEMBL975024 0.84 F10 (0.50) HDAC1F10
SCHEMBL977976 0.83 HDAC3 (0.51) ROCK2HDAC1NAMPTF10ALDH1A1
SCHEMBL977872 0.83 HDAC3 (0.45) HDAC1NAMPTF10
SCHEMBL976913 0.83 F10 (0.48) HDAC1F10

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
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US 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 GRM5 2738/4885RECQL 1123/4885ROCK2 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.