Sugi Predict

Sugi Predict / Compounds / SCHEMBL5400739

SCHEMBL5400739

SCHEMBL5400739

CCCCC(CC)C(=O)Nc1ccc(NC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 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
SCHEMBL5380530 0.89 LMNA (0.43) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14505172 0.88 PTGS2 (0.48) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5430131 0.88 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5392445 0.87 SMN1; SMN2 (0.40) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5401391 0.86 SMN1; SMN2 (0.40) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5382874 0.85 MAPT (0.41) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL5391103 0.83 IKBKB (0.40) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5396855 0.82 CA1 (0.45) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5380923 0.82 MAPT (0.41) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5428794 0.81 DEGS1 (0.36) MEN1KMT2AMAPTGAAPTGS2

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 LMNA 4065/4885MEN1 3779/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LMNA 4008/4885MEN1 2632/4885KMT2A 3545/4885

“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.