SCHEMBL18976017

SCHEMBL18976017

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C(=O)N2CCOCC2)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ AR P10275 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL18976230 0.92 PRKDC (0.52) PRKDCCD274TP53THRBKMT2A
SCHEMBL18975731 0.90 AR (0.52) PRKDCTP53ARHRH3THRB
SCHEMBL18976141 0.89 AR (0.51) TP53ARHRH3THRB
SCHEMBL18976489 0.87 AR (0.41) PRKDCCD274ARTHRB
SCHEMBL18976206 0.84 RAB9A (0.46) PRKDCCD274TP53THRBKMT2A
SCHEMBL20581159 0.84 TP53 (0.50) TP53ARHRH3THRBKMT2A
SCHEMBL18976117 0.84 GAA (0.45) PRKDCCD274THRBKMT2A
SCHEMBL21940850 0.82 AR (0.45) PRKDCCD274TP53ARTHRB
SCHEMBL21941150 0.81 AR (0.44) PRKDCCD274TP53ARTHRB
SCHEMBL5001090 0.80 TOP1 (0.40) PRKDCCD274

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-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 — — US disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 — — WO 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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS PRKDC 4382/4885CD274 659/4885TP53 4614/4885

“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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