SCHEMBL5400532

SCHEMBL5400532

CCOC(=O)C1CCCCN1c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 10/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FKBP1A P62942 3/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
S100A4 P26447 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14504226 0.86 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14428507 0.74 MAPT (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5396672 0.73 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5390849 0.73 PSEN1 (0.36) KMT2AMEN1LMNA
SCHEMBL5395746 0.73 MKNK1 (0.38)
SCHEMBL4698840 0.72 SHMT2 (0.39) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5662721 0.72 SHMT2 (0.39) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1282176 0.71 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL79066 0.71 F10 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5383994 0.71 NPY5R (0.39) KMT2AMEN1

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 KDM4E 2224/4885ALDH1A1 2233/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KDM4E 2873/4885ALDH1A1 2096/4885KMT2A 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.