SCHEMBL977442

SCHEMBL977442

COc1ccc(NC(=O)N2CCc3sc(C(=O)Nc4ccccc4N)cc3C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.51
KDM1A O60341 1/20 0.51
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL976881 0.93 THRB (0.49) NAMPTKDM1ATHRBSMN1; SMN2ALDH1A1
SCHEMBL976821 0.85 KDM1A (0.50) KDM1ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL976805 0.82 NAMPT (0.52) NAMPTTHRBSMN1; SMN2ALDH1A1TRPV1
SCHEMBL975199 0.82 L3MBTL1 (0.44) NAMPTTHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL977516 0.81 KDM1A (0.55) KDM1ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL975340 0.81 F10 (0.47) NAMPTTHRBSMN1; SMN2MAPTTRPV1
SCHEMBL976352 0.81 KDM1A (0.52) NAMPTKDM1AALDH1A1KDM4ETRPV1
SCHEMBL13822812 0.80 KDM1A (0.60) KDM1ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL978322 0.80 THRB (0.50) NAMPTTHRBSMN1; SMN2ALDH1A1TRPV1
SCHEMBL976599 0.80 ALDH1A1 (0.63) KDM1ASMN1; SMN2ALDH1A1KDM4EMAPT

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 10 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
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 NAMPT 485/4885KDM1A 38/4885THRB 3429/4885

“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.