SCHEMBL11909239

SCHEMBL11909239

O=C(O)N1CC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.43
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKCQ Q04759 1/20 0.36
CHRNA7 P36544 1/20 0.36
GRIN2B Q13224 2/20 0.35

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
SCHEMBL11909241 1.00 HTT (0.43) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11908997 0.87 HTT (0.44) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909001 0.87 HTT (0.44) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909697 0.84 HTT (0.41) HTTGAASMN1; SMN2LMNAPRKCQ
SCHEMBL11909699 0.84 HTT (0.41) HTTGAASMN1; SMN2LMNAPRKCQ
SCHEMBL11909589 0.84 HTT (0.46) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909590 0.84 HTT (0.46) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909780 0.83 PTGER4 (0.46) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909786 0.83 PTGER4 (0.46) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11909292 0.82 HTT (0.49) HTTGAASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US 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 4048/4885GAA 552/4885SMN1; SMN2 4608/4885

“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.