SCHEMBL141127

SCHEMBL141127

CC(C)CN(C(=O)O)c1cc(OC2CCCC2)nn2c(I)nnc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.33
▸ RORC P51449 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL105492 0.89 CACNB4 (0.34) PDE4B
SCHEMBL137431 0.82 TTK (0.39) —
SCHEMBL140937 0.81 LNPEP (0.34) LNPEPRORCACACBPDE4APDE4B
SCHEMBL141128 0.74 ACACB (0.31) LNPEPACACB
SCHEMBL105894 0.71 CACNB4 (0.33) —
SCHEMBL104404 0.70 TTK (0.43) —
SCHEMBL178433 0.68 TTK (0.46) —
SCHEMBL137816 0.67 TTK (0.45) LNPEP
SCHEMBL139893 0.64 CACNB4 (0.32) —
SCHEMBL138331 0.64 TTK (0.38) ACACB

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
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 — — EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 LNPEP 4730/4885RORC 190/4885ACACB 4342/4885

“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.

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