SCHEMBL5447267

SCHEMBL5447267

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.51
CA2 P00918 18/20 0.51
CA12 O43570 18/20 0.51
CA9 Q16790 18/20 0.51
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA14 Q9ULX7 2/20 0.42
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA6 P23280 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL5380601 0.88 KMT2A (0.51) CA1CA2CA12CA9ALDH1A1
SCHEMBL5383968 0.88 KMT2A (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL5382246 0.87 CA12 (0.43) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL5392664 0.87 KMT2A (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL5385125 0.87 PTGS2 (0.40) CA1CA2CA12CA9
SCHEMBL5381880 0.86 CA1 (0.64) CA1CA2CA12CA9CA14
SCHEMBL5384224 0.86 KMT2A (0.42) CA1CA2CA12CA9ALDH1A1
SCHEMBL14505158 0.85 CA1 (0.70) CA1CA2CA12CA9ALDH1A1
SCHEMBL5382864 0.85 MEN1 (0.47) SMN1; SMN2
SCHEMBL5445970 0.85 IDH2 (0.41)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 CA1 4865/4885CA2 4432/4885CA12 4832/4885

“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.