Sugi Predict

Sugi Predict / Compounds / SCHEMBL5375803

SCHEMBL5375803

SCHEMBL5375803

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4ccccc4Cl)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.44
▸ BACE1 P56817 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ EPHB3 P54753 6/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CBR1 P16152 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37

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
SCHEMBL5376337 0.93 AURKA (0.39) AURKABACE1TSHRSMN1; SMN2IRAK4
SCHEMBL5382726 0.90 SCN9A (0.42) TSHRSMN1; SMN2IRAK4SCN9ACA12
SCHEMBL5384240 0.90 TSHR (0.43) TSHRSMN1; SMN2POLBCYP1A2HPGD
SCHEMBL14503827 0.89 SCN9A (0.41) TSHRSMN1; SMN2ALOX15IRAK4SCN9A
SCHEMBL5375652 0.89 SCN9A (0.41) TSHRSMN1; SMN2ALOX15IRAK4SCN9A
SCHEMBL5400944 0.89 BACE1 (0.43) AURKABACE1POLBSCN9AEPHB3
SCHEMBL5388147 0.89 TSHR (0.41) AURKATSHRSMN1; SMN2SCN9ACA12
SCHEMBL5383083 0.88 SCN9A (0.42) TSHRSMN1; SMN2IRAK4SCN9ACA12
SCHEMBL5381090 0.88 LMNA (0.41) TSHRSMN1; SMN2ALOX15HPGDSCN9A
SCHEMBL5381063 0.88 KLKB1 (0.44) TSHRSMN1; SMN2ALOX15SCN9ACA12

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 AURKA 1020/4885BACE1 2514/4885TSHR 4325/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD AURKA 916/4885BACE1 3134/4885TSHR 3906/4885

“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.