SCHEMBL2009115

SCHEMBL2009115

Nc1ncccc1NC[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
GRIN2B Q13224 6/20 0.43
FASN P49327 5/20 0.42
GSK3B P49841 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.40
F10 P00742 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
VNN1 O95497 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2009118 1.00 ELANE (0.46) ELANEGRIN2BFASNGSK3BHPGD
SCHEMBL10298 0.86 F10 (0.41) GRIN2BFASNALDH1A1F10SMN1; SMN2
SCHEMBL2009586 0.83 ELANE (0.50) ELANEGRIN2BFASNHPGDALDH1A1
SCHEMBL11909934 0.80 NPC1 (0.41) GRIN2BALDH1A1MAPTTSHRF10
SCHEMBL5952 0.80 PTGER4 (0.41) GRIN2BFASNALDH1A1MAPTF10
SCHEMBL6716 0.77 ATM (0.39) ELANEFASNALDH1A1F10VNN1
SCHEMBL11183 0.77 SCD (0.44) MAPT
SCHEMBL6714 0.77 ATM (0.39) ELANEFASNALDH1A1F10VNN1
SCHEMBL13834992 0.76 DPP4 (0.50) ELANEGRIN2BFASNALDH1A1MAPT
SCHEMBL6065 0.75 HTT (0.45) ALDH1A1MAPTF10LMNA

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 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 (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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY ELANE 2784/4885GRIN2B 1786/4885FASN 1/4885

“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.