SCHEMBL5458233

SCHEMBL5458233

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
KCNH3 Q9ULD8 4/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GPR68 Q15743 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5382198 0.88 HTT (0.47) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5386579 0.86 HTT (0.46) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5383900 0.86 APP (0.45) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5380660 0.84 HTT (0.53) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5380705 0.83 HTT (0.43) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5383927 0.83 APP (0.45) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5384412 0.83 BACE1 (0.45) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5383344 0.82 CA1 (0.58)
SCHEMBL5383928 0.82 BCDIN3D (0.41) GAAACHE
SCHEMBL5380599 0.81 HTT (0.50) HTTALDH1A1LMNAGAASMN1; SMN2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 949/4885KCNH3 2356/4885ALDH1A1 2233/4885

“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.