SCHEMBL5383700

SCHEMBL5383700

Cc1cccc(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 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
CTSB P07858 1/20 0.53
HRH4 Q9H3N8 1/20 0.45
HTT P42858 2/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CSNK1D P48730 1/20 0.42
PDE2A O00408 1/20 0.42
APP P05067 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNN3 Q9UGI6 1/20 0.40
GBA1 P04062 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
VCP P55072 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL5383328 0.88 SSTR2 (0.41) CTSSCTSKCTSBHRH4HTT
SCHEMBL5391436 0.86 HTT (0.44) CTSSCTSKCTSBHRH4HTT
SCHEMBL5383957 0.86 HTT (0.44) CTSSCTSKCTSBHRH4HTT
SCHEMBL5386579 0.86 HTT (0.46) CTSSCTSKCTSBHRH4HTT
SCHEMBL5382238 0.85 HTT (0.40) CTSSCTSKCTSBHRH4HTT
SCHEMBL5383015 0.81 PRKCQ (0.38) CTSSCTSKCTSBHRH4HTT
SCHEMBL5384843 0.81 KDM4E (0.39) CTSSCTSKCTSBHTTLMNA
SCHEMBL14503260 0.81 LMNA (0.64) CTSSCTSKCTSBHRH4HTT
SCHEMBL5378924 0.80 HTT (0.51) HTTLMNASMN1; SMN2GBA1ALDH1A1
SCHEMBL5382198 0.79 HTT (0.47) HTTAPPLMNASMN1; SMN2ALDH1A1

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 CTSS 1283/4885CTSK 1427/4885CTSB 889/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CTSS 425/4885CTSK 1251/4885CTSB 455/4885

“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.