SCHEMBL21157751

SCHEMBL21157751

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.51
PTGS2 P35354 1/20 0.49
LMNA P02545 2/20 0.45
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL21157727 1.00 GAA (0.57) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL10643494 0.90 GAA (0.58) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL3045885 0.86 MAPT (0.68) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL21156916 0.86 GAA (0.56) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL21156443 0.86 GAA (0.56) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL12201705 0.85 ALDH1A1 (0.56) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL16479579 0.85 ALDH1A1 (0.56) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL16479604 0.85 ALDH1A1 (0.56) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL21157706 0.84 GAA (0.69) GAAMAPTALDH1A1PTGS2LMNA
SCHEMBL21156861 0.84 GAA (0.69) GAAMAPTALDH1A1PTGS2LMNA

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

“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.