SCHEMBL4167487

SCHEMBL4167487

O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCCCCOc1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
PLCD1 P51178 1/20 0.58
CNR1 P21554 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
SENP1 Q9P0U3 1/20 0.54
PKM P14618 1/20 0.54
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TPSAB1 Q15661 1/20 0.53
GIGYF2 Q6Y7W6 1/20 0.53
FOLH1 Q04609 2/20 0.53
CNR2 P34972 1/20 0.52
HSP90AB1 P08238 1/20 0.52

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
SCHEMBL13483496 0.89 TDP1 (0.60) TDP1PLCD1CNR1CA12CA1
SCHEMBL18779801 0.85 TDP1 (0.78) TDP1PLCD1CA12CA1CA2
SCHEMBL7516609 0.84 TDP1 (0.65) TDP1PLCD1CNR1CA12CA1
SCHEMBL12675370 0.84 TDP1 (0.67) TDP1PLCD1CNR1CA12CA1
SCHEMBL13497919 0.84 TDP1 (0.67) TDP1PLCD1CNR1CA12CA1
SCHEMBL17039697 0.83 F2 (0.71) TDP1PLCD1CNR1CA12CA1
SCHEMBL8508187 0.83 TDP1 (0.71) TDP1PLCD1CNR1CA12CA1
SCHEMBL10308270 0.82 TDP1 (0.74) TDP1PLCD1CA12CA1CA2
SCHEMBL8532651 0.82 TDP1 (0.68) TDP1PLCD1CNR1CA12CA1
SCHEMBL10140256 0.82 TDP1 (0.65) TDP1PLCD1CNR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 TDP1 589/4885PLCD1 4529/4885CNR1 4101/4885

“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.