SCHEMBL5388946

SCHEMBL5388946

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccc(SC(F)(F)F)cc4)cc3)nc(N3C[C@@H](N)C[C@H]3CO)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ ABL1 P00519 6/20 0.35
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ CHRNA7 P36544 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ KCNK9 Q9NPC2 1/20 0.31
▸ IDH2 P48735 1/20 0.31

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
SCHEMBL5383335 0.94 SCN9A (0.36) SCN9AABL1PTGS2RAD52RECQL
SCHEMBL5381138 0.93 SCN9A (0.40) SCN9AABL1PTGS2RAD52RECQL
SCHEMBL14428583 0.93 SCN9A (0.40) SCN9AABL1PTGS2RAD52RECQL
SCHEMBL5382794 0.89 SCN9A (0.35) SCN9AABL1PTGS2RAD52RECQL
SCHEMBL14428734 0.89 SCN9A (0.35) SCN9AABL1PTGS2RAD52RECQL
SCHEMBL5387734 0.85 SCN9A (0.40) SCN9APTGS2RAD52RECQLBLM
SCHEMBL5395796 0.85 MAP4K2 (0.35) SCN9APTGS2RAD52RECQLBLM
SCHEMBL14428582 0.84 SCN9A (0.41) SCN9APTGS2TRPV1MEN1KMT2A
SCHEMBL5380863 0.84 SCN9A (0.41) SCN9APTGS2TRPV1MEN1KMT2A
SCHEMBL5445970 0.82 IDH2 (0.41) SCN9APTGS2MEN1KMT2AIDH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 — — US claimed
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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO 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 SCN9A 4552/4885ABL1 155/4885AURKA 1020/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885ABL1 206/4885AURKA 916/4885

“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.

Send feedback