SCHEMBL11909786

SCHEMBL11909786

O=C(O)N1CC[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.46
HTT P42858 5/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2B Q13224 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TACR3 P29371 1/20 0.34
GAA P10253 1/20 0.34
CSF1R P07333 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL11909780 1.00 PTGER4 (0.46) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909767 0.89 PTGER4 (0.45) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909250 0.87 HTT (0.52) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909254 0.87 HTT (0.52) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909039 0.85 ACHE (0.45) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909035 0.85 ACHE (0.45) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909901 0.84 RBP4 (0.44) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909904 0.84 RBP4 (0.44) PTGER4HTTLMNAALDH1A1MAPT
SCHEMBL11909239 0.83 HTT (0.43) HTTLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL11909241 0.83 HTT (0.43) HTTLMNAALDH1A1MAPTSMN1; SMN2

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
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGER4 2567/4885HTT 4048/4885LMNA 3101/4885

“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.