Sugi Predict

Sugi Predict / Compounds / SCHEMBL5385131

SCHEMBL5385131

SCHEMBL5385131

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccon4)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.39
▸ PYGM P11217 1/20 0.37
▸ GAPDH P04406 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTOR P42345 1/20 0.34

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 0.84 KMT2A (0.51) PTGS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5383968 0.84 KMT2A (0.44) PTGS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5378644 0.83 RAB9A (0.44) PTGS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5382246 0.83 CA12 (0.43) PTGS2SMN1; SMN2LMNAMAPTHTT
SCHEMBL5392664 0.82 KMT2A (0.48) PTGS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5378838 0.82 CA12 (0.41) PTGS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5383918 0.82 PTGS2 (0.39) PTGS2ALDH1A1LMNAPOLBMAPT
SCHEMBL14428581 0.82 PTGS2 (0.39) PTGS2ALDH1A1LMNAPOLBMAPT
SCHEMBL5385125 0.82 PTGS2 (0.40) PTGS2RAB9ANPC1MAPTHTT
SCHEMBL5397008 0.81 MEN1 (0.39) PTGS2RAB9ANPC1LMNAMAPT

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 PTGS2 4416/4885PYGM 3882/4885GAPDH 2004/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTGS2 4131/4885PYGM 4531/4885GAPDH 3537/4885

“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.