SCHEMBL975378

SCHEMBL975378

NC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PDGFRB P09619 1/20 0.46
PIK3CG P48736 1/20 0.45
F10 P00742 7/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LMNA P02545 4/20 0.41
HIF1A Q16665 1/20 0.41
NAMPT P43490 2/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 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
SCHEMBL976751 0.83 PDGFRB (0.51) HDAC3HDAC1HDAC6PDGFRBPIK3CG
Hydrochloric Acid SCHEMBL976357 0.82 PDGFRB (0.50) HDAC3HDAC1HDAC6PDGFRBPIK3CG
SCHEMBL979703 0.81 HDAC1 (0.43) HDAC3HDAC1HDAC6PDGFRBPIK3CG
SCHEMBL977708 0.80 PDGFRB (0.45) HDAC3HDAC1PDGFRBF10
SCHEMBL977206 0.78 HTR2A (0.47) HDAC3HDAC1PDGFRBPIK3CGF10
SCHEMBL978100 0.78 F10 (0.52) HDAC3HDAC1HDAC6F10KDM4E
SCHEMBL979973 0.77 HTR2A (0.42) HDAC3HDAC1PIK3CGF10ALDH1A1
SCHEMBL977172 0.76 HDAC1 (0.55) HDAC3HDAC1PDGFRB
SCHEMBL979596 0.76 F10 (0.51) HDAC3HDAC1HDAC6F10MEN1
SCHEMBL975412 0.76 HDAC3 (0.55) HDAC3HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
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 HDAC3 3/4885HDAC1 1/4885HDAC6 11/4885

“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.