SCHEMBL5383328

SCHEMBL5383328

Cc1cc(C)cc(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 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 4/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
CAMK1D Q8IU85 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL5383700 0.88 CTSS (0.53) HTTCTSBCTSSCTSKLMNA
SCHEMBL5386579 0.86 HTT (0.46) HTTCTSBCTSSCTSKLMNA
SCHEMBL5382238 0.83 HTT (0.40) HTTCTSBCTSSCTSKLMNA
SCHEMBL14428560 0.83 TSHR (0.39) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5383926 0.82 ALOX15 (0.43) HTTLMNAALDH1A1GAAMEN1
SCHEMBL5391436 0.82 HTT (0.44) HTTCTSBCTSSCTSKLMNA
SCHEMBL5378863 0.81 HTT (0.47) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5383818 0.81 IDH2 (0.41) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5383015 0.80 PRKCQ (0.38) HTTCTSBCTSSCTSKLMNA
SCHEMBL5384843 0.80 KDM4E (0.39) HTTCTSBCTSSCTSKLMNA

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 SSTR2 3627/4885KCNH2 2147/4885HTT 949/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SSTR2 3149/4885KCNH2 2327/4885HTT 516/4885

“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.