SCHEMBL18975726

SCHEMBL18975726

CN(C)C(=O)c1cc2cc(NC(=O)c3nc(NC(=O)OC(C)(C)C)cn3C)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ HDAC1 Q13547 4/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ LEF1 Q9UJU2 1/20 0.35
▸ CLK1 P49759 4/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ AR P10275 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL22824882 0.90 HDAC1 (0.41) HDAC1FLT3LEF1DYRK1AGSK3B
SCHEMBL18313988 0.90 MEN1 (0.42) HDAC1FLT3LEF1CLK1DYRK1A
SCHEMBL20580922 0.87 LMNA (0.45) LMNASYKHDAC1FLT3CLK1
SCHEMBL21941140 0.84 LMNA (0.42) LMNASYKHDAC1FLT3LEF1
SCHEMBL22824883 0.83 ACKR3 (0.40) LMNAHDAC1FLT3CLK1ACKR3
SCHEMBL22824921 0.81 HTR2C (0.43) LEF1DYRK1AGSK3BMEN1MAPT
SCHEMBL22824729 0.77 NAMPT (0.41) LMNAHDAC1DYRK1AGSK3BMEN1
SCHEMBL18313982 0.76 MEN1 (0.44) HDAC1FLT3CLK1DYRK1ACLK2
SCHEMBL27118659 0.76 NAMPT (0.42) LMNADYRK1AGSK3B
SCHEMBL21316476 0.75 NAMPT (0.46) DYRK1AGSK3BMEN1MAPTKMT2A

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 LMNA 3243/4885SYK 3347/4885HDAC1 518/4885

“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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