Sugi Predict

Sugi Predict / Compounds / SCHEMBL5375781

SCHEMBL5375781

SCHEMBL5375781

NC[C@@H]1C[C@H](CN)CN(c2nc(Nc3ccc4c(c3)-c3ccccc3C4=O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.38
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGS2 P35354 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
SCHEMBL5380861 0.92 IDH2 (0.43) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5392341 0.89 IDH2 (0.41) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5386828 0.89 IDH2 (0.43) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5387649 0.87 IDH2 (0.40) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL14428645 0.87 IDH2 (0.37) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5386971 0.87 IDH2 (0.37) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5388915 0.86 CAMK1D (0.39) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5391818 0.86 GBA1 (0.40) IDH2LMNANPSR1HTTKMT2A
SCHEMBL14503489 0.86 IDH2 (0.42) IDH2LMNANPSR1HTTSMN1; SMN2
SCHEMBL5380560 0.84 IDH2 (0.36) IDH2LMNANPSR1HTTSMN1; SMN2

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 IDH2 3327/4885LMNA 4065/4885NPSR1 3969/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885LMNA 4008/4885NPSR1 2974/4885

“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.