SCHEMBL20581386

SCHEMBL20581386

Cn1cc(NC(=O)O)cc1C(=O)Nc1ccc(-c2cc(C(=O)N3CCOCC3)n(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ AR P10275 2/20 0.42
▸ THRB P10828 1/20 0.40
▸ MOK Q9UQ07 1/20 0.40
▸ RAF1 P04049 3/20 0.40
▸ BRAF P15056 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL20581396 0.91 AR (0.52) TP53ARTHRBPOLB
SCHEMBL20581159 0.90 TP53 (0.50) TP53KMT2AARTHRBHRH3
SCHEMBL20581240 0.90 AR (0.51) TP53ARTHRBPOLB
SCHEMBL20581339 0.88 AR (0.42) TP53ARTHRBPOLB
SCHEMBL18976230 0.87 PRKDC (0.52) TP53KMT2ATHRBRAF1BRAF
SCHEMBL20527216 0.82 P2RY12 (0.46) KMT2APOLB
SCHEMBL20527300 0.80 P2RY12 (0.40) KMT2ATHRBPOLB
SCHEMBL20581392 0.80 AR (0.62) ARTHRBHRH3POLB
SCHEMBL20581193 0.79 AR (0.61) TP53ARTHRBHRH3POLB
SCHEMBL20580886 0.78 P2RY12 (0.39) KMT2ATHRBPOLB

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
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 — — 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 (2 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 TP53 4614/4885KMT2A 3038/4885AR 3276/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS TP53 4614/4885KMT2A 3038/4885AR 3276/4885

“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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