SCHEMBL18976489

SCHEMBL18976489

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C(=O)N2CCSCC2)n(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.41
▸ PRKDC P78527 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ HPSE Q9Y251 1/20 0.35
▸ TOP1 P11387 2/20 0.34
▸ HRAS P01112 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL21940851 0.92 PRKDC (0.41) ARPRKDCDRD2ACHEBACE1
SCHEMBL18975731 0.90 AR (0.52) ARPRKDCDRD2ACHEBACE1
SCHEMBL18976141 0.89 AR (0.51) ARACHEBACE1POLBLMNA
SCHEMBL18976017 0.87 PRKDC (0.47) ARPRKDCCD274THRB
SCHEMBL18975996 0.84 SYK (0.39) ARPRKDCDRD2ACHEBACE1
SCHEMBL20580629 0.84 AR (0.49) ARHPSETOP1HRASESR1
SCHEMBL18976466 0.84 HRAS (0.41) PRKDCDRD2HRASESR1ESR2
SCHEMBL21940850 0.82 AR (0.45) ARPRKDCDRD2ACHEBACE1
SCHEMBL21941150 0.81 AR (0.44) ARPRKDCDRD2ACHEBACE1
SCHEMBL5001090 0.80 TOP1 (0.40) PRKDCDRD2ACHEBACE1HPSE

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 AR 3276/4885PRKDC 4382/4885DRD2 9/4885

“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