Sugi Predict

Sugi Predict / Compounds / SCHEMBL5378171

SCHEMBL5378171

SCHEMBL5378171

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)c4ccccc4)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ MAPK12 P53778 2/20 0.46
▸ MAPK11 Q15759 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40

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
SCHEMBL5383122 0.87 MAOA (0.48) PTGS2KMT2AMEN1HTTNPC1
SCHEMBL5383894 0.86 PTGS2 (0.50) PTGS2LRRK2
SCHEMBL5376199 0.86 LMNA (0.57) PTGS2KMT2AMEN1HTTNPC1
SCHEMBL14428047 0.86 LMNA (0.60) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL5448044 0.86 LMNA (0.60) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL5391023 0.85 PTGS2 (0.65) PTGS2HTTNPC1RAB9ALMNA
SCHEMBL5392664 0.85 KMT2A (0.48) PTGS2KMT2AMEN1HTTNPC1
SCHEMBL5383968 0.84 KMT2A (0.44) PTGS2KMT2AMEN1HTTNPC1
SCHEMBL5377918 0.84 LMNA (0.51) PTGS2KMT2AHTTLMNANPSR1
SCHEMBL5383940 0.83 PTGS2 (0.47) PTGS2LRRK2

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 4416/4885KMT2A 3738/4885MEN1 3779/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTGS2 4131/4885KMT2A 3545/4885MEN1 2632/4885

“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.