SCHEMBL5216219

SCHEMBL5216219

NC1CSCCN(Cc2cc(Cl)nc(Cl)c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SRC P12931 3/20 0.33
▸ F10 P00742 3/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLG P00747 1/20 0.31

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
Hydrochloric Acid SCHEMBL4497350 0.99 L3MBTL1 (0.33) L3MBTL1SRCF10CHRNA1CHRNA7
SCHEMBL5220593 0.81 SRC (0.36) SRCF2
SCHEMBL5218961 0.81 SRC (0.43) L3MBTL1SRC
Hydrochloric Acid SCHEMBL4492492 0.80 SRC (0.36) SRCF2
Hydrochloric Acid SCHEMBL4491136 0.80 SRC (0.42) L3MBTL1SRC
SCHEMBL4494868 0.78 SRC (0.47) SRC
SCHEMBL5221831 0.77 AADAT (0.43) SRCF10PLG
Hydrochloric Acid SCHEMBL4494736 0.76 AADAT (0.43) SRCF10PLG
SCHEMBL5310594 0.75 ALDH1A1 (0.44) L3MBTL1
Hydrochloric Acid SCHEMBL4494597 0.74 ALDH1A1 (0.43) L3MBTL1

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 6 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-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
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
EP-1819679-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2007-08-22 — — EP disclosed
WO-2006056696-A2 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-06-01 — — 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 L3MBTL1 3909/4885SRC 716/4885F10 4808/4885

“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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