SCHEMBL589876

SCHEMBL589876

COc1ccc2nccc(CNCCC[C@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
GRM2 Q14416 2/20 0.35

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
SCHEMBL592163 1.00 KCNH2 (0.39) KCNH2GRM2
SCHEMBL589877 1.00 KCNH2 (0.39) KCNH2GRM2
SCHEMBL591650 0.91 GRM2 (0.39) KCNH2GRM2
SCHEMBL591423 0.91 GRM2 (0.39) KCNH2GRM2
SCHEMBL593277 0.91 GRM2 (0.39) KCNH2GRM2
SCHEMBL591379 0.90 KCNH2 (0.39) KCNH2
SCHEMBL591380 0.90 KCNH2 (0.39) KCNH2
SCHEMBL591405 0.90 KCNH2 (0.39) KCNH2
SCHEMBL591821 0.90 GRM2 (0.40) KCNH2GRM2
SCHEMBL591820 0.90 GRM2 (0.40) KCNH2GRM2

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-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY KCNH2 2218/4885GRM2 4516/4885

“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.