SCHEMBL975544

SCHEMBL975544

CS/C(=N\c1ccccc1)N1CCc2nc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
F10 P00742 15/20 0.41
GRAMD1A Q96CP6 1/20 0.39
GRM5 P41594 1/20 0.39
F2 P00734 1/20 0.38
F9 P00740 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL975546 1.00 HDAC3 (0.42) HDAC3HDAC1HDAC6F10GRAMD1A
SCHEMBL977165 0.92 F10 (0.48) HDAC3HDAC1HDAC6F10GRM5
SCHEMBL977164 0.92 F10 (0.48) HDAC3HDAC1HDAC6F10GRM5
SCHEMBL13822775 0.89 F10 (0.44) HDAC3HDAC1HDAC6F10GRAMD1A
SCHEMBL3703942 0.89 F10 (0.44) HDAC3HDAC1HDAC6F10GRAMD1A
SCHEMBL977349 0.86 HDAC3 (0.44) HDAC3HDAC1HDAC6F10GRM5
SCHEMBL976378 0.86 HDAC3 (0.44) HDAC3HDAC1HDAC6F10GRM5
SCHEMBL975339 0.84 GRAMD1A (0.53) F10GRAMD1A
SCHEMBL978562 0.81 GRM5 (0.47) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL978561 0.81 GRM5 (0.47) HDAC3HDAC1HDAC6GRM5NPC1

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-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US 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 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.