SCHEMBL13520194

SCHEMBL13520194

CCCN1CCN(CCOC(=O)CNS(=O)(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ POLB P06746 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
SCHEMBL13519664 0.85 ALDH1A1 (0.33) ALDH1A1HRH2HRH1KMT2ASMN1; SMN2
SCHEMBL13520228 0.77 CHRM3 (0.43) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13520211 0.74 HRH2 (0.40) ALDH1A1HRH2HRH1MEN1KMT2A
SCHEMBL10856497 0.71 GAA (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL9326877 0.71 GAA (0.49) ALDH1A1HRH2HRH1MEN1KMT2A
SCHEMBL16363479 0.69 ALDH1A1 (0.43) ALDH1A1HRH2HRH1MEN1KMT2A
SCHEMBL22882677 0.69 MGAM (0.43) ALDH1A1MEN1KMT2AL3MBTL1SLC29A1
SCHEMBL10174987 0.67 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1SLC29A1
SCHEMBL17401259 0.67 DGKA (0.67) ALDH1A1HRH2HRH1MEN1KMT2A
SCHEMBL11628693 0.67 DGKA (0.67) ALDH1A1HRH2HRH1MEN1KMT2A

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-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 — — US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 — — 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 ALDH1A1 1422/4885HRH2 1172/4885HRH1 773/4885

“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