SCHEMBL13818365

SCHEMBL13818365

COC(=O)C1CC(N)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ MMP1 P03956 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL8860207 0.84 KMT2A (0.41) KMT2AMMP1MMP13ANPEPALOX12
SCHEMBL13640163 0.81 KMT2A (0.40) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL13640173 0.80 KMT2A (0.49) KMT2AMMP1MMP13ALOX12NPSR1
SCHEMBL20131552 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL16229721 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL23677559 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL29156418 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL16229720 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL10410305 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4
SCHEMBL30233062 0.79 KMT2A (0.44) KMT2AMMP1MMP13CHRNB2CHRNA4

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-7550453-B2 Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide AVENTIS PHARMA SA (FR) 2009-06-23 — — US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 — — 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 KMT2A 203/4885MMP1 4578/4885MMP13 2248/4885

“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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