SCHEMBL5380832

SCHEMBL5380832

CC(=O)c1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3CCC[C@@H](O)C3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.61
IDH2 P48735 8/20 0.47
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LCK P06239 1/20 0.40
JAK3 P52333 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5380852 1.00 PTGS2 (0.61) PTGS2IDH2NPC1RAB9ALCK
SCHEMBL5391925 0.91 JAK3 (0.48) PTGS2IDH2LCKJAK3LMNA
SCHEMBL5375697 0.90 PTGS2 (0.59) PTGS2NPC1RAB9ALCKJAK3
SCHEMBL14428606 0.90 PTGS2 (0.59) PTGS2NPC1RAB9ALCKJAK3
SCHEMBL5384132 0.90 PTGS2 (0.59) PTGS2NPC1RAB9ALCKJAK3
SCHEMBL5391023 0.89 PTGS2 (0.65) PTGS2NPC1RAB9ANPSR1MAPT
SCHEMBL5391943 0.87 IDH2 (0.51) PTGS2IDH2NPSR1LMNA
SCHEMBL5391417 0.87 PTGS2 (0.60) PTGS2NPC1RAB9ANPSR1MAPT
SCHEMBL5384740 0.85 PTGS2 (0.61) PTGS2NPC1RAB9ANPSR1MAPT
SCHEMBL14533275 0.84 PTGS2 (0.51) PTGS2IDH2LCKJAK3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PTGS2 4416/4885IDH2 3327/4885NPC1 3226/4885

“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.