SCHEMBL18975731

SCHEMBL18975731

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C(=O)N2CCCC2)n(C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.52
▸ ACHE P22303 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ THRB P10828 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ DRD2 P14416 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
SCHEMBL18976141 0.99 AR (0.51) ARACHEBACE1THRBLMNA
SCHEMBL21940850 0.91 AR (0.45) ARACHEBACE1THRBLMNA
SCHEMBL21941150 0.90 AR (0.44) ARACHEBACE1THRBLMNA
SCHEMBL18976017 0.90 PRKDC (0.47) ARTHRBPRKDCHRH3TP53
SCHEMBL18976489 0.90 AR (0.41) ARACHEBACE1THRBLMNA
SCHEMBL14355717 0.83 TOP1 (0.40) ACHEBACE1POLBPRKDCNR1I3
SCHEMBL5001090 0.83 TOP1 (0.40) ACHEBACE1POLBPRKDCNR1I3
SCHEMBL5000911 0.83 TOP1 (0.40) ACHEBACE1POLBPRKDCNR1I3
SCHEMBL15385155 0.83 TOP1 (0.40) ACHEBACE1POLBPRKDCNR1I3
SCHEMBL20581392 0.83 AR (0.62) ARTHRBLMNAPOLBTDP1

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 3276/4885ACHE 3256/4885BACE1 3131/4885

“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