SCHEMBL5380879

SCHEMBL5380879

COc1ccc(NC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KLKB1 P03952 1/20 0.46
PNLIP P16233 2/20 0.42
SCN9A Q15858 3/20 0.42
PTPN11 Q06124 1/20 0.41
PLAU P00749 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLAT P00750 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5383893 0.94 KLKB1 (0.51) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL5386577 0.91 KLKB1 (0.43) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL5376114 0.91 PLAU (0.50) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL5387855 0.90 BACE1 (0.46) MEN1KMT2ANPC1RAB9AKLKB1
SCHEMBL5387068 0.89 LMNA (0.39) KMT2AKLKB1SCN9A
SCHEMBL14440372 0.89 KLKB1 (0.42) KLKB1PNLIPSCN9A
SCHEMBL5381063 0.89 KLKB1 (0.44) KLKB1PNLIPSCN9APLAUF2
SCHEMBL5448394 0.88 HSD11B1 (0.43) MEN1KMT2APOLBMAPT
SCHEMBL5383376 0.88 CA12 (0.42) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL5386628 0.87 PLAU (0.40) MEN1KMT2ARAB9AKLKB1SCN9A

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 MEN1 3779/4885KMT2A 3738/4885NPC1 3226/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885KMT2A 3545/4885NPC1 2574/4885

“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.