SCHEMBL5382874

SCHEMBL5382874

CCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PTGS2 P35354 2/20 0.39
JAK2 O60674 7/20 0.38
JAK1 P23458 7/20 0.38
TYK2 P29597 7/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
BRD4 O60885 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AURKB Q96GD4 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5392445 0.91 SMN1; SMN2 (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5391103 0.91 IKBKB (0.40) MAPTPOLBMEN1KMT2APTGS2
SCHEMBL5401391 0.90 SMN1; SMN2 (0.40) MAPTKMT2ANPC1RAB9ACYP1A2
SCHEMBL5400967 0.90 MEN1 (0.39) MAPTMEN1KMT2ACACNA1BAPBA1
SCHEMBL5380923 0.87 MAPT (0.41) MAPTPOLBMEN1KMT2APTGS2
SCHEMBL5428794 0.87 DEGS1 (0.36) MAPTMEN1KMT2APTGS2GAA
SCHEMBL5391464 0.86 MAPT (0.40) MAPTPOLBMEN1KMT2APTGS2
SCHEMBL14503569 0.86 MAPT (0.40) MAPTPOLBMEN1KMT2APTGS2
SCHEMBL5375890 0.86 SCN9A (0.43) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL5388148 0.86 MAPT (0.43) MAPTPOLBMEN1KMT2ANPC1

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 MAPT 2536/4885POLB 760/4885MEN1 3779/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPT 2630/4885POLB 284/4885MEN1 2632/4885

“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.