SCHEMBL5381176

SCHEMBL5381176

NC1CC(N)CN(c2nc(Nc3ccc(NC(=O)c4cnc5ccccc5c4O)cc3)nc(N3CC(N)CC(N)C3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.38
KDM6A O15550 1/20 0.37
CAMK1D Q8IU85 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
PLG P00747 2/20 0.36
KLK1 P06870 2/20 0.36
KLK6 Q92876 2/20 0.36
DNMT1 P26358 2/20 0.36
DNMT3L Q9UJW3 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5381160 1.00 PTPN11 (0.38) PTPN11KDM6ACAMK1DKDM4EKDM6B
SCHEMBL5395990 0.90 CAMK1D (0.36) CAMK1D
SCHEMBL5395945 0.90 CAMK1D (0.36) CAMK1D
SCHEMBL5395895 0.88 MAPT (0.40) CAMK1DKDR
SCHEMBL5395866 0.88 MAPT (0.40) CAMK1DKDR
SCHEMBL5387575 0.86 PLG (0.52) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL14505222 0.85 NPSR1 (0.51) PTPN11KDM4ENPC1RAB9A
SCHEMBL14428627 0.84 PLG (0.49) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5390622 0.83 LMNA (0.46) KDM4EPLGKLK1NPC1RAB9A
SCHEMBL14428621 0.82 PLG (0.48) KDM6AKDM4EKDM6BMAOAMAOB

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 3 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-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 PTPN11 3419/4885KDM6A 2353/4885CAMK1D 4720/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTPN11 3806/4885KDM6A 2950/4885CAMK1D 4367/4885

“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.