SCHEMBL11909697

SCHEMBL11909697

O=C(O)N1CC[C@@H](CNc2c([N+](=O)[O-])cccc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TMEM97 Q5BJF2 4/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
RBP4 P02753 3/20 0.39
TTR P02766 1/20 0.39
ENPP2 Q13822 1/20 0.39
GAA P10253 1/20 0.38
SLC2A1 P11166 1/20 0.38
SCD O00767 1/20 0.37
PRKCQ Q04759 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SERPINE1 P05121 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11909699 1.00 HTT (0.41) HTTTMEM97CYP2C9CYP2C19HTR2B
SCHEMBL6572 0.90 HTT (0.38) HTTTMEM97CYP2C9CYP2C19HTR2B
SCHEMBL6574 0.90 HTT (0.38) HTTTMEM97CYP2C9CYP2C19HTR2B
SCHEMBL11908997 0.84 HTT (0.44) HTTGAALMNASMN1; SMN2
SCHEMBL11909001 0.84 HTT (0.44) HTTGAALMNASMN1; SMN2
SCHEMBL11909239 0.84 HTT (0.43) HTTGAAPRKCQLMNASMN1; SMN2
SCHEMBL11909241 0.84 HTT (0.43) HTTGAAPRKCQLMNASMN1; SMN2
SCHEMBL11909904 0.84 RBP4 (0.44) HTTTMEM97CYP2C9CYP2C19HTR2B
SCHEMBL11909901 0.84 RBP4 (0.44) HTTTMEM97CYP2C9CYP2C19HTR2B
SCHEMBL22605970 0.82 KDM4E (0.49)

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 HTT 4048/4885TMEM97 1617/4885CYP2C9 701/4885

“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.