SCHEMBL5381124

SCHEMBL5381124

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
IDH2 P48735 3/20 0.41
PTGS2 P35354 2/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
IDH1 O75874 1/20 0.40
CA12 O43570 9/20 0.40
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 9/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CAMK1D Q8IU85 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
SCHEMBL5376174 0.84 RAD52 (0.57) PTGS2RAD52RECQLBLMCA12
SCHEMBL5376474 0.82 RAD52 (0.44) PTGS2RAD52RECQLBLMCA12
SCHEMBL5400612 0.81 CTSS (0.52) CHRNA7IDH2MEN1KMT2A
SCHEMBL5426022 0.81 LMNA (0.40) IDH2PTGS2RAD52RECQLBLM
SCHEMBL5383894 0.81 PTGS2 (0.50) PTGS2CAMK1D
SCHEMBL5392801 0.80 LMNA (0.43) IDH2PTGS2RAD52RECQLBLM
SCHEMBL5445970 0.80 IDH2 (0.41) IDH2PTGS2MEN1KMT2A
SCHEMBL5388856 0.80 CA12 (0.38) IDH2PTGS2RAD52RECQLBLM
SCHEMBL5391023 0.80 PTGS2 (0.65) PTGS2RAD52RECQLBLMCA12
SCHEMBL5383122 0.80 MAOA (0.48) PTGS2CA12CA1CA2CA9

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 CHRNA7 4860/4885IDH2 3327/4885PTGS2 4416/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CHRNA7 4859/4885IDH2 3493/4885PTGS2 4131/4885

“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.