SCHEMBL14045692

SCHEMBL14045692

C/C=C/c1ccccc1N=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
FGF23 Q9GZV9 1/20 0.31

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
SCHEMBL28131003 0.82 CA12 (0.39) CA12CA2CA9ALDH1A1LMNA
SCHEMBL18820481 0.78 CA12 (0.41) CA12CA2CA9ALDH1A1LMNA
SCHEMBL15711502 0.78 CA12 (0.36) CA12CA2CA9LMNAMAPT
SCHEMBL12794511 0.78 CA12 (0.32) CA12CA2CA9NFE2L2
SCHEMBL5402136 0.78 CYP3A4 (0.48) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5402133 0.78 CYP3A4 (0.48) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL2618789 0.78 RECQL (0.39) CA12CA2CA9ALDH1A1LMNA
SCHEMBL28180203 0.78 RECQL (0.39) CA12CA2CA9ALDH1A1LMNA
SCHEMBL12134122 0.78 ALDH1A1 (0.35) CA12CA2CA9ALDH1A1LMNA
SCHEMBL13524726 0.77 CDK4 (0.53) CA12CA2CA9ALDH1A1LMNA

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-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20070111251-A1 Chemical address tags REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-05-17 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-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 CA12 619/4885CA2 376/4885CA9 271/4885

“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.