SCHEMBL977489

SCHEMBL977489

COc1ccc(OC(=O)N2CCc3cc(C(=O)Nc4ccccc4N)sc3C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
KDM1A O60341 1/20 0.43
GPR55 Q9Y2T6 3/20 0.42
LMNA P02545 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CNR1 P21554 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 3/20 0.40

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
SCHEMBL976821 0.93 KDM1A (0.50) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL975053 0.89 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL976881 0.85 THRB (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL977485 0.83 F10 (0.47) MAPTHDAC6HDAC1HDAC2HDAC3
SCHEMBL979620 0.82 ABCG2 (0.43) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL978679 0.81 HDAC1 (0.42) RAB9ALMNATAS1R3TAS1R1TAS1R2
SCHEMBL976338 0.81 TAS1R3 (0.43) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL13822878 0.80 KDM1A (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL977442 0.79 NAMPT (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL978338 0.77 GAA (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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 KDM4E 49/4885ALDH1A1 912/4885MAPT 2144/4885

“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.