SCHEMBL21941150

SCHEMBL21941150

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(-c2cc(C(=O)N3CCCCC3)n(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.44
▸ PRKDC P78527 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ NR1I3 Q14994 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ MAP4K4 O95819 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
SCHEMBL21940850 0.99 AR (0.45) ARPRKDCCD274ACHEBACE1
SCHEMBL18976141 0.91 AR (0.51) ARACHEBACE1ABL1RIN1
SCHEMBL18976230 0.91 PRKDC (0.52) PRKDCCD274TP53THRBCYP17A1
SCHEMBL21940851 0.91 PRKDC (0.41) ARPRKDCCD274ACHEBACE1
SCHEMBL18975731 0.90 AR (0.52) ARPRKDCACHEBACE1ABL1
SCHEMBL20581240 0.86 AR (0.51) ARRXFP1TP53LMNATHRB
SCHEMBL19739304 0.85 CYP17A1 (0.44) ARPRKDCCD274CYP17A1PTPN2
SCHEMBL20581396 0.85 AR (0.52) ARRXFP1TP53LMNATHRB
SCHEMBL21451881 0.85 CYP17A1 (0.44) PRKDCCD274RXFP1CYP17A1PTPN1
SCHEMBL18976024 0.85 CYP17A1 (0.46) ARPRKDCCD274CYP17A1PTPN2

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 1 patent. 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

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 AR 3276/4885PRKDC 4382/4885CD274 659/4885

“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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