SCHEMBL975053

SCHEMBL975053

COc1ccc(OC(=O)N2CCc3cc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
GPR55 Q9Y2T6 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
CNR1 P21554 3/20 0.40
HDAC6 Q9UBN7 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 6/20 0.38
THRB P10828 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HTT P42858 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL977489 0.89 KDM4E (0.44) SMN1; SMN2KDM4ERAB9AGPR55ALDH1A1
SCHEMBL975199 0.86 L3MBTL1 (0.44) SMN1; SMN2KDM4ERAB9AGPR55ALDH1A1
SCHEMBL976821 0.82 KDM1A (0.50) SMN1; SMN2KDM4ERAB9AGPR55ALDH1A1
SCHEMBL13822828 0.82 HDAC6 (0.47) SMN1; SMN2KDM4ERAB9AALDH1A1HPGD
SCHEMBL976172 0.78 MEN1 (0.45) KDM4ERAB9AALDH1A1HPGDLMNA
SCHEMBL979002 0.76 NPC1 (0.48) SMN1; SMN2RAB9AALDH1A1HDAC6MAPT
SCHEMBL13822800 0.75 KDM4E (0.38) SMN1; SMN2KDM4ERAB9AGPR55ALDH1A1
SCHEMBL978288 0.75 ALDH1A1 (0.43) SMN1; SMN2KDM4ERAB9AALDH1A1LMNA
SCHEMBL976881 0.74 THRB (0.49) SMN1; SMN2KDM4ERAB9AALDH1A1HPGD
SCHEMBL978070 0.74 HTR2C (0.52) SMN1; SMN2RAB9AMAPTMEN1KMT2A

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 SMN1; SMN2 4506/4885KDM4E 49/4885RAB9A 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.