SCHEMBL5451835

SCHEMBL5451835

Nc1ccc(/N=C/c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.62
CA2 P00918 6/20 0.62
PTGS1 P23219 5/20 0.62
CA1 P00915 4/20 0.62
CA9 Q16790 4/20 0.62
CA12 O43570 3/20 0.62
CA7 P43166 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5451838 1.00 PTGS2 (0.62) PTGS2CA2PTGS1CA1CA9
SCHEMBL14507030 1.00 PTGS2 (0.62) PTGS2CA2PTGS1CA1CA9
SCHEMBL12973864 1.00 PTGS2 (0.62) PTGS2CA2PTGS1CA1CA9
SCHEMBL13310262 0.89 CA2 (0.55) PTGS2CA2PTGS1CA1CA9
SCHEMBL2455350 0.89 PTGS2 (0.67) PTGS2CA2PTGS1CA1CA9
SCHEMBL12416601 0.89 PTGS2 (0.67) PTGS2CA2PTGS1CA1CA9
SCHEMBL20186948 0.89 PTGS2 (0.67) PTGS2CA2PTGS1CA1CA9
SCHEMBL13310277 0.89 CA2 (0.55) PTGS2CA2PTGS1CA1CA9
SCHEMBL2455348 0.89 PTGS2 (0.67) PTGS2CA2PTGS1CA1CA9
SCHEMBL14129055 0.89 CA2 (0.55) PTGS2CA2PTGS1CA1CA9

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-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-05-31 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-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques APP, BACE1, APBA1 PTGS2 3666/4885CA2 2364/4885PTGS1 3042/4885

“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.