SCHEMBL978322

SCHEMBL978322

COc1ccc(NC(=O)N2CCc3cc(C(=O)Nc4ccccc4N)n(C)c3C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
ABCB1 P08183 2/20 0.49
NAMPT P43490 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL976805 0.94 NAMPT (0.52) THRBABCG2ABCB1NAMPTTRPV1
SCHEMBL979620 0.85 ABCG2 (0.43) THRBABCG2ABCB1HDAC1HDAC2
SCHEMBL977705 0.82 TRPV1 (0.56) THRBABCG2ABCB1NAMPTTRPV1
SCHEMBL976881 0.82 THRB (0.49) THRBABCG2ABCB1NAMPTTRPV1
SCHEMBL977811 0.81 PDGFRB (0.47) NAMPTHDAC1HDAC2SMN1; SMN2KMT2A
SCHEMBL977713 0.81 ABCB1 (0.42) THRBABCG2ABCB1HDAC1HDAC2
SCHEMBL13822819 0.81 HDAC2 (0.44) ABCG2ABCB1HDAC1HDAC2TAAR1
SCHEMBL977442 0.80 NAMPT (0.51) THRBABCG2ABCB1NAMPTTRPV1
SCHEMBL13822882 0.79 ABCB1 (0.42) THRBABCG2ABCB1HDAC1HDAC2
SCHEMBL976338 0.79 TAS1R3 (0.43) THRBABCG2ABCB1NAMPTHDAC1

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 6 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 claimed
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
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 THRB 3429/4885ABCG2 3184/4885ABCB1 2515/4885

“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.