SCHEMBL5387481

SCHEMBL5387481

N[C@@H]1C[C@H](N)CN(c2nc(NCCN3CCNC3=O)nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GBA1 P04062 4/20 0.39
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ BRAF P15056 3/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAMK2D Q13557 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
SCHEMBL5391472 0.93 RAB9A (0.43) F10LMNAKDM4EALDH1A1GBA1
SCHEMBL14503581 0.89 GBA1 (0.49) F10LMNAHTTKDM4EALDH1A1
SCHEMBL5375890 0.85 SCN9A (0.43) LMNAHTTCA12CA1CA2
SCHEMBL5381013 0.84 SCN9A (0.42) LMNAHTTCA12CA1CA2
SCHEMBL14428054 0.84 CA12 (0.39) F10LMNAHTTALDH1A1CA12
SCHEMBL5376376 0.84 CA12 (0.39) F10LMNAHTTALDH1A1CA12
SCHEMBL5445977 0.83 SMN1; SMN2 (0.42) F10LMNAHTTKDM4EALDH1A1
SCHEMBL5433131 0.83 SCN9A (0.41) LMNAHTTCA12CA1CA2
SCHEMBL5381910 0.82 SCN9A (0.41) LMNAHTTCA12CA1CA2
SCHEMBL14428608 0.81 SCN9A (0.40) LMNAHTTCA12CA1CA2

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 5 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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 — — 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 (2 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 F10 4502/4885LMNA 4065/4885HTT 949/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD F10 4304/4885LMNA 4008/4885HTT 516/4885

“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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