Sugi Predict

Sugi Predict / Compounds / SCHEMBL5400967

SCHEMBL5400967

SCHEMBL5400967

CCC(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PTGS2 P35354 2/20 0.36
▸ BACE1 P56817 5/20 0.36
▸ CAMK1D Q8IU85 2/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ IDH2 P48735 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 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
SCHEMBL14504195 0.93 IDH2 (0.47) PTGS2CAMK1DIDH2
SCHEMBL5383855 0.92 ALDH1A1 (0.39) MAPTRAD52RECQLBLMPTGS2
SCHEMBL5382823 0.91 BACE1 (0.36) MEN1KMT2ARAD52RECQLBLM
SCHEMBL5382840 0.91 BACE1 (0.36) MEN1KMT2ARAD52RECQLBLM
SCHEMBL5380883 0.90 GAA (0.38) MEN1KMT2ARAD52RECQLBLM
SCHEMBL5382874 0.90 MAPT (0.41) MEN1MAPTCACNA1BAPBA1KMT2A
SCHEMBL5387709 0.90 EP300 (0.41) MAPTSMN1; SMN2ABL1PDGFRBPDGFRA
SCHEMBL5450599 0.89 IKBKB (0.37) MAPTRAD52RECQLBLMPTGS2
SCHEMBL5432333 0.89 IKBKB (0.37) RAD52RECQLBLMPTGS2BACE1
SCHEMBL5396807 0.89 EP300 (0.42) SMN1; SMN2ABL1ALDH1A1

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 MEN1 3779/4885MAPT 2536/4885CACNA1B 4686/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885MAPT 2630/4885CACNA1B 4550/4885

“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.