SCHEMBL5383100

SCHEMBL5383100

COc1ccc(OC)c(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MAPK1 P28482 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GBA1 P04062 4/20 0.54
HTT P42858 3/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 3/20 0.45
USP2 O75604 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL14440845 0.92 MAPT (0.59) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5448692 0.84 GBA1 (0.57) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5400657 0.82 HTT (0.46) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5390852 0.82 MEN1 (0.61) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5387855 0.81 BACE1 (0.46) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5392498 0.81 BACE1 (0.49) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5383747 0.81 MAPT (0.50) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5376325 0.81 MEN1 (0.60) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5380866 0.81 MAPT (0.49) MAPTMAPK1NPSR1GBA1HTT
SCHEMBL5376496 0.77 MAPT (0.47) MAPTNPSR1HTTNPC1RAB9A

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 6 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 MAPT 2536/4885MAPK1 3725/4885NPSR1 3969/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPT 2630/4885MAPK1 3590/4885NPSR1 2974/4885

“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.