SCHEMBL5386594

SCHEMBL5386594

N[C@@H]1C[C@H](N)CN(c2nc(N3CCN(c4ncccn4)CC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
DPP4 P27487 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.40
SORD Q00796 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5392377 0.85 RAB9A (0.53) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL20064012 0.81 DPP4 (0.45) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL5384617 0.80 MAPT (0.50) LMNAMAPTALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL26086784 0.79 KDM4E (0.47) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL5383311 0.78 HRH4 (0.40) KMT2AMEN1
SCHEMBL5424807 0.75 HRH1 (0.57) MAPTKDM4EALDH1A1KMT2AUSP2
SCHEMBL5392524 0.75 HTT (0.50) LMNAKDM4EALDH1A1KMT2AGAA
SCHEMBL5375746 0.75 CRHR1 (0.38)
SCHEMBL14428518 0.74 MEN1 (0.44) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5442242 0.74 MEN1 (0.55) LMNAMAPTKDM4EALDH1A1RAB9A

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 4065/4885MAPT 2536/4885KDM4E 2224/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LMNA 4008/4885MAPT 2630/4885KDM4E 2873/4885

“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.