SCHEMBL976645

SCHEMBL976645

O=C(O)c1nc2c(s1)CN(C(=S)Nc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GRM5 P41594 13/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL978168 0.85 KDM4E (0.49) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL976807 0.85 HDAC1 (0.47) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL10825415 0.83 KMT2A (0.46) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL975949 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC6
SCHEMBL10825512 0.79 GAA (0.43) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL978811 0.78 F10 (0.55) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL28895700 0.77 GRM5 (0.44) HDAC3HDAC1HDAC6GRM5NPC1
SCHEMBL979703 0.76 HDAC1 (0.43) HDAC3HDAC1HDAC6
SCHEMBL978489 0.75 F10 (0.43) HDAC3HDAC1HDAC6ALDH1A1
SCHEMBL980083 0.74 GRM5 (0.50) 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.