SCHEMBL7592948

SCHEMBL7592948

COc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
G6PC1 P35575 1/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7592950 1.00 TRPA1 (0.50) TRPA1G6PC1ALDH1A1GAAKDM4E
SCHEMBL8426401 0.93 TRPA1 (0.50) TRPA1G6PC1ALDH1A1GAAKDM4E
SCHEMBL8426400 0.93 TRPA1 (0.50) TRPA1G6PC1ALDH1A1GAAKDM4E
SCHEMBL5273422 0.85 CYP1A2 (0.52) G6PC1ALDH1A1GAAKDM4EMAPT
SCHEMBL5273425 0.85 CYP1A2 (0.52) G6PC1ALDH1A1GAAKDM4EMAPT
SCHEMBL1492083 0.85 TRPA1 (0.52) TRPA1G6PC1ALDH1A1GAACYP1A2
SCHEMBL1492078 0.85 TRPA1 (0.52) TRPA1G6PC1ALDH1A1GAACYP1A2
SCHEMBL14860293 0.84 ALDH1A1 (0.54) ALDH1A1GAAKDM4EUSP2POLB
SCHEMBL3149789 0.84 ALDH1A1 (0.54) ALDH1A1GAAKDM4EUSP2POLB
SCHEMBL2464450 0.84 ALDH1A1 (0.54) ALDH1A1GAAKDM4EUSP2POLB

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
US-6350902-B2 REACTING HYDROXYAMINE WITH A TRIFLUOROFORMATE ESTER ABBOTT LABORATORIES 2002-02-26 US disclosed
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2002-01-03 US disclosed
US-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2001-10-18 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-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TRPA1 2008/4885G6PC1 4632/4885ALDH1A1 936/4885
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TRPA1 2008/4885G6PC1 4632/4885ALDH1A1 936/4885

“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.