Sugi Predict

Sugi Predict / Compounds / SCHEMBL5380654

SCHEMBL5380654

SCHEMBL5380654

Cc1cc([N+](=O)[O-])ccc1Nc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ MAPT P10636 8/20 0.55
▸ ALDH1A1 P00352 8/20 0.46
▸ KMT2A Q03164 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CRHBP P24387 2/20 0.44
▸ CRHR2 Q13324 2/20 0.44
▸ MEN1 O00255 6/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL5383967 0.83 RAB9A (0.47) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL14504236 0.82 GAA (0.80) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5387635 0.82 MEN1 (0.59) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5391270 0.81 MAPT (0.39) GAAMAPTKMT2ALMNASMN1; SMN2
SCHEMBL5387698 0.80 GAA (0.43) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5401058 0.80 CTSL (0.54) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL14503536 0.78 GAA (0.40) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5383031 0.78 ALDH1A1 (0.46) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5380975 0.78 GAA (0.40) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL5383747 0.78 MAPT (0.50) GAAMAPTALDH1A1LMNASMN1; 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 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 GAA 395/4885MAPT 2536/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GAA 778/4885MAPT 2630/4885ALDH1A1 2096/4885

“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.