Sugi Predict

Sugi Predict / Compounds / SCHEMBL5378116

SCHEMBL5378116

SCHEMBL5378116

N[C@@H]1C[C@H](N)CN(c2nc(NCCCN3CCCC3=O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ PGK1 P00558 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TYRO3 Q06418 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 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
SCHEMBL14503307 0.83 LMNA (0.51) MKNK1MKNK2PGK1MALT1KMT2A
SCHEMBL5376397 0.76 TSHR (0.42) KMT2AMEN1HTTLMNANPC1
SCHEMBL5464518 0.75 TSHR (0.41) KMT2AMEN1LMNATSHRPOLB
SCHEMBL5388835 0.74 SLC2A1 (0.50) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL5375711 0.72 LMNA (0.59) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL5384028 0.72 TSHR (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL5378531 0.71 LMNA (0.38) KMT2AMEN1HTTLMNATSHR
SCHEMBL2453958 0.71 PGK1 (0.43) MKNK1MKNK2PGK1MALT1KMT2A
SCHEMBL5383219 0.71 ALOX15 (0.43) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL5253798 0.71 CTSS (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR

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 MKNK1 3286/4885MKNK2 3990/4885PGK1 3250/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MKNK1 3609/4885MKNK2 3913/4885PGK1 3782/4885

“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.