SCHEMBL19683182

SCHEMBL19683182

C[C@H](CN)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
PTGS2 P35354 1/20 0.49
MAOB P27338 2/20 0.48
AOC3 Q16853 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL19683417 1.00 GAA (0.53) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL10643494 0.90 GAA (0.58) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL12201705 0.85 ALDH1A1 (0.56) GAAALDH1A1MAPTPTGS2CA1
SCHEMBL16479579 0.85 ALDH1A1 (0.56) GAAALDH1A1MAPTPTGS2CA1
SCHEMBL16479604 0.85 ALDH1A1 (0.56) GAAALDH1A1MAPTPTGS2CA1
SCHEMBL21157727 0.84 GAA (0.57) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL21157751 0.84 GAA (0.57) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL8605149 0.83 GAA (0.56) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL3045885 0.83 MAPT (0.68) GAAALDH1A1MAPTPTGS2MAOB
SCHEMBL17795378 0.83 ALDH1A1 (0.57) GAAALDH1A1MAPTPTGS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 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 (2 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 GAA 1574/4885ALDH1A1 1300/4885MAPT 4213/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 GAA 1574/4885ALDH1A1 1300/4885MAPT 4213/4885

“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.