Sugi Predict

Sugi Predict / Compounds / SCHEMBL5387635

SCHEMBL5387635

SCHEMBL5387635

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ GAA P10253 2/20 0.59
▸ MAPT P10636 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HTT P42858 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSB P07858 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KCNH3 Q9ULD8 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ CHRNB4 P30926 2/20 0.43

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
SCHEMBL5392856 0.93 KMT2A (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5401058 0.86 CTSL (0.54) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5395733 0.82 MAPT (0.42) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5383031 0.82 ALDH1A1 (0.46) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5380654 0.82 GAA (0.58) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5420671 0.81 LMNA (0.44) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5381880 0.81 CA1 (0.64) —
SCHEMBL5380690 0.80 EGFR (0.46) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5392801 0.80 LMNA (0.43) MEN1KMT2AGAAMAPTHTT
SCHEMBL14428525 0.80 LMNA (0.58) MEN1KMT2AGAAMAPTHTT

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 4 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-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 MEN1 3779/4885KMT2A 3738/4885GAA 395/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885KMT2A 3545/4885GAA 778/4885

“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.