SCHEMBL12456219

SCHEMBL12456219

CCC1=CC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCSCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 20/20 0.49
▸ QPCTL Q9NXS2 2/20 0.40

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
SCHEMBL12456210 0.90 QPCT (0.61) QPCTQPCTL
SCHEMBL12456233 0.90 QPCT (0.50) QPCTQPCTL
SCHEMBL12456230 0.90 QPCT (0.52) QPCTQPCTL
SCHEMBL12456236 0.89 QPCT (0.49) QPCTQPCTL
SCHEMBL12456234 0.88 QPCT (0.64) QPCTQPCTL
SCHEMBL12456240 0.87 QPCT (0.48) QPCTQPCTL
SCHEMBL12456218 0.87 QPCT (0.48) QPCTQPCTL
SCHEMBL12275356 0.85 QPCT (0.68) QPCTQPCTL
SCHEMBL12456211 0.84 QPCT (0.51) QPCTQPCTL
SCHEMBL12456224 0.84 QPCT (0.53) QPCTQPCTL

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-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — 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-20120237475-A1 Novel Inhibitors GLS, NQO2, GLS2 QPCT 5/4885QPCTL 13/4885

“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.

Send feedback