SCHEMBL5375697

SCHEMBL5375697

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.59
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CAMK1D Q8IU85 3/20 0.42
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL5384132 0.98 PTGS2 (0.59) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL14428606 0.98 PTGS2 (0.59) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5391023 0.94 PTGS2 (0.65) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5391417 0.92 PTGS2 (0.60) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5384740 0.91 PTGS2 (0.61) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5385107 0.90 JAK3 (0.46) PTGS2CAMK1DLCKJAK3CDK1
SCHEMBL5380832 0.90 PTGS2 (0.61) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5380852 0.90 PTGS2 (0.61) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL14428740 0.88 PTGS2 (0.51) PTGS2NPC1RAB9AHTTMAPT
SCHEMBL5376436 0.88 PTGS2 (0.51) PTGS2NPC1RAB9AHTTMAPT

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 4416/4885NPC1 3226/4885RAB9A 1848/4885

“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.