SCHEMBL20580922

SCHEMBL20580922

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ HDAC1 Q13547 8/20 0.43
▸ SYK P43405 2/20 0.43
▸ FLT3 P36888 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ CLK1 P49759 2/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ DGAT1 O75907 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
SCHEMBL18975726 0.87 LMNA (0.40) LMNAHDAC1SYKFLT3CLK1
SCHEMBL20581154 0.82 LMNA (0.46) LMNAHDAC1SYKFLT3MCHR1
SCHEMBL22824882 0.78 HDAC1 (0.41) HDAC1FLT3DYRK1AMEN1KMT2A
SCHEMBL18313982 0.77 MEN1 (0.44) HDAC1FLT3CLK1DYRK1AMEN1
SCHEMBL18313988 0.76 MEN1 (0.42) HDAC1FLT3BACE1CLK1DYRK1A
SCHEMBL16693602 0.72 BACE1 (0.48) LMNAHDAC1BACE1MEN1NPC1
SCHEMBL20581157 0.72 CYP1A2 (0.47) LMNAHDAC1FLT3MCHR1KMT2A
Hydrochloric Acid SCHEMBL20239286 0.71 MEN1 (0.45) HDAC1BACE1MEN1KMT2A
SCHEMBL21941140 0.71 LMNA (0.42) LMNAHDAC1SYKFLT3BACE1
SCHEMBL18975365 0.70 LMNA (0.56) LMNAHDAC1SYKCLK1DYRK1A

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
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 — — 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 (2 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 3243/4885HDAC1 518/4885SYK 3347/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS LMNA 3243/4885HDAC1 518/4885SYK 3347/4885

“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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