SCHEMBL2009586

SCHEMBL2009586

O=C(C1CC1)N1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
GRIN2B Q13224 5/20 0.41
F10 P00742 2/20 0.40
FASN P49327 5/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12760624 0.89 GRIN2B (0.44) ELANEGRIN2BALDH1A1KDM4ETHRB
SCHEMBL12760625 0.89 GRIN2B (0.44) ELANEGRIN2BALDH1A1KDM4ETHRB
SCHEMBL13834992 0.83 DPP4 (0.50) ELANEGRIN2BF10FASNALDH1A1
SCHEMBL13834994 0.83 IDO1 (0.50) GRIN2BKDM4E
SCHEMBL6065 0.83 HTT (0.45) F10ALDH1A1KDM4EMAPTLMNA
SCHEMBL2009118 0.83 ELANE (0.46) ELANEGRIN2BF10FASNALDH1A1
SCHEMBL2009115 0.83 ELANE (0.46) ELANEGRIN2BF10FASNALDH1A1
SCHEMBL6067 0.83 HTT (0.45) F10ALDH1A1KDM4EMAPTLMNA
SCHEMBL13834569 0.80 MEN1 (0.45) F10FASNALDH1A1MAPT
SCHEMBL2014265 0.80 MEN1 (0.45) F10FASNALDH1A1MAPT

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 1786/4885F10 1856/4885

“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.