SCHEMBL21941027

SCHEMBL21941027

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ ACHE P22303 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ AR P10275 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LEF1 Q9UJU2 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL18975996 0.92 SYK (0.39) ALDH1A1ACHEBACE1SYKHRH4
SCHEMBL18976117 0.92 GAA (0.45) SYKHRH4THRB
SCHEMBL20580684 0.87 ALDH1A1 (0.47) ALDH1A1SYKHRH4ARTP53
SCHEMBL18314047 0.86 LEF1 (0.44) ALDH1A1ACHEBACE1NR1I3ACKR3
SCHEMBL22824938 0.86 HDAC1 (0.43) ACHEBACE1NR1I3ACKR3HDAC1
SCHEMBL21941140 0.84 LMNA (0.42) ACHEBACE1SYKARNR1I3
SCHEMBL18976141 0.83 AR (0.51) ACHEBACE1ARTP53POLB
SCHEMBL27118694 0.82 LEF1 (0.38) ACHEBACE1NR1I3HDAC1LEF1
SCHEMBL21941146 0.82 CYP1A2 (0.43) ACHEBACE1ARNR1I3ACKR3
SCHEMBL18975731 0.82 AR (0.52) ACHEBACE1ARTP53POLB

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 ALDH1A1 2651/4885ACHE 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