SCHEMBL5445977

SCHEMBL5445977

N[C@@H]1C[C@H](N)CN(c2nc(NCCCn3ccnc3)nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ NAMPT P43490 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5391086 0.93 NAMPT (0.40) SMN1; SMN2LMNANAMPTKMT2AMEN1
SCHEMBL14503562 0.89 GBA1 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5375890 0.85 SCN9A (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5381013 0.84 SCN9A (0.42) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5387481 0.83 F10 (0.40) SMN1; SMN2LMNAMAPTF10ALDH1A1
SCHEMBL5433131 0.83 SCN9A (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5381910 0.82 SCN9A (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL14503615 0.81 GBA1 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14428608 0.81 SCN9A (0.40) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5382196 0.81 SCN9A (0.40) SMN1; SMN2LMNAMAPTKMT2AMEN1

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-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 SMN1; SMN2 3797/4885CYP1A2 1210/4885CYP3A4 812/4885

“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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