SCHEMBL5378015

SCHEMBL5378015

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccnc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM6B O15054 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.39
PRKCI P41743 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 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
SCHEMBL5382599 0.89 KDM6A (0.36) KDM6AEGLN1KDM4EKDM6BMAOA
SCHEMBL5454246 0.88 MET (0.42) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL5454273 0.88 MET (0.42) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL5386309 0.87 GRM4 (0.43) ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL5390622 0.87 LMNA (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5392253 0.87 EGLN1 (0.56) KDM6AEGLN1KDM4EKDM6BMAOA
SCHEMBL5390779 0.86 GRM4 (0.41) KDM6AEGLN1KDM4EKDM6BMAOA
SCHEMBL5387722 0.85 TERT (0.43) KDM6AEGLN1KDM4EKDM6BMAOA
SCHEMBL5384002 0.84 PTGS2 (0.39) KDM6AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5381130 0.84 PLAU (0.48) ALDH1A1MAPTGAAKMT2ARAB9A

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 KDM6A 2353/4885EGLN1 2481/4885KDM4E 2224/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KDM6A 2950/4885EGLN1 1525/4885KDM4E 2873/4885

“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.