SCHEMBL5388905

SCHEMBL5388905

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(Br)c4ccccc34)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 7/20 0.34
IDH2 P48735 2/20 0.34
HTT P42858 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
HTR6 P50406 1/20 0.33
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA1 Q15788 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14503949 1.00 POLB (0.36) POLBLMNANPSR1MAPTIDH2
SCHEMBL5387748 0.85 IDO1 (0.37) POLBLMNANPSR1MAPTIDH2
SCHEMBL5381708 0.78 IDH2 (0.36) POLBLMNANPSR1MAPTIDH2
SCHEMBL5400330 0.77 POLB (0.60) POLBLMNANPSR1MAPTIDH2
SCHEMBL5384813 0.77 GBA1 (0.50) POLBLMNANPSR1MAPTIDH2
SCHEMBL5425734 0.77 LMNA (0.51) POLBLMNANPSR1MAPTIDH2
SCHEMBL5383895 0.77 KDM4E (0.46) LMNAMAPTHTTGAAALDH1A1
SCHEMBL5391380 0.77 GBA1 (0.40) POLBLMNANPSR1IDH2HTT
SCHEMBL5448044 0.76 LMNA (0.60) POLBLMNANPSR1MAPTIDH2
SCHEMBL14428047 0.76 LMNA (0.60) POLBLMNANPSR1MAPTIDH2

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 POLB 760/4885LMNA 4065/4885NPSR1 3969/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD POLB 284/4885LMNA 4008/4885NPSR1 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.