SCHEMBL5380660

SCHEMBL5380660

N[C@@H]1C[C@H](N)CN(c2nc(NCc3ccc(-c4ccccc4)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCNE2 O96020 2/20 0.48
CCNA2 P20248 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MERTK Q12866 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK1 Q13464 1/20 0.41
HRH4 Q9H3N8 4/20 0.41
HRH1 P35367 2/20 0.41
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL5380599 0.86 HTT (0.50) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5382198 0.85 HTT (0.47) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5458233 0.84 HTT (0.46) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5386579 0.84 HTT (0.46) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5378481 0.82 HTT (0.42) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5377918 0.82 LMNA (0.51) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5380705 0.81 HTT (0.43) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5383900 0.81 APP (0.45) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5383927 0.81 APP (0.45) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5383344 0.80 CA1 (0.58)

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.