SCHEMBL5448692

SCHEMBL5448692

COc1ccc(-c2ccccc2)cc1Nc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.57
HTT P42858 2/20 0.48
PIK3CG P48736 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 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
SCHEMBL5383100 0.84 MAPT (0.59) GBA1HTTMAPTNPSR1MAPK1
SCHEMBL5377918 0.79 LMNA (0.51) HTTMAPTNPSR1KDM4EALDH1A1
SCHEMBL5400657 0.78 HTT (0.46) GBA1HTTMAPTNPSR1MAPK1
SCHEMBL5376496 0.78 MAPT (0.47) HTTMAPTNPSR1KDM4EALDH1A1
SCHEMBL14440845 0.78 MAPT (0.59) GBA1HTTMAPTNPSR1MAPK1
SCHEMBL5383098 0.77 MEN1 (0.45) MAPTMAPK1KDM4EALDH1A1KMT2A
SCHEMBL5376414 0.75 MAPT (0.45) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL5425734 0.74 LMNA (0.51) GBA1HTTMAPTNPSR1KDM4E
SCHEMBL14428047 0.74 LMNA (0.60) GBA1HTTMAPTNPSR1KDM4E
SCHEMBL5448044 0.74 LMNA (0.60) GBA1HTTMAPTNPSR1KDM4E

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 GBA1 2717/4885HTT 949/4885PIK3CG 1364/4885

“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.