SCHEMBL5383957

SCHEMBL5383957

NCc1cccc(CNc2nc(N3C[C@H](N)C[C@H](N)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
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
PIM1 P11309 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HUWE1 Q7Z6Z7 1/20 0.38
HRH4 Q9H3N8 3/20 0.35
PRMT6 Q96LA8 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IDH2 P48735 1/20 0.35
ROCK1 Q13464 1/20 0.34
PRKCQ Q04759 1/20 0.34
DPP4 P27487 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5391436 0.87 HTT (0.44) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5383700 0.86 CTSS (0.53) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL14503120 0.82 HTT (0.52) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5382238 0.81 HTT (0.40) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5382198 0.80 HTT (0.47) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5380660 0.80 HTT (0.53) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5382947 0.80 RAD52 (0.53) HTT
SCHEMBL5383328 0.79 SSTR2 (0.41) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5458233 0.79 HTT (0.46) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5386579 0.79 HTT (0.46) HTTLMNAALDH1A1SMN1; SMN2GAA

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 HTT 949/4885LMNA 4065/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885LMNA 4008/4885ALDH1A1 2096/4885

“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.