SCHEMBL6693807

SCHEMBL6693807

CO/N=C(\C)C(C)=NOCc1ccccc1NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6693803 1.00 PTGS2 (0.53) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6693047 0.84 PTGS2 (0.44) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6696646 0.84 PTGS2 (0.44) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6696644 0.84 PTGS2 (0.44) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6693044 0.84 PTGS2 (0.44) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6696501 0.80 PTGS2 (0.47) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL6696504 0.80 PTGS2 (0.47) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL9407121 0.78 TP53 (0.46) ALDH1A1HTTKMT2AL3MBTL1POLB
SCHEMBL8163432 0.75 PTGS2 (0.52) PTGS2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL8444517 0.75 HIF1A (0.60) PTGS2ALDH1A1HTTKMT2A

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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect BAYER AKTIENGESELLSCHAFT (DE) 2004-02-05 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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect CBR3, CBR1, CYP1B1 PTGS2 4199/4885ALDH1A1 267/4885HTT 3334/4885

“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.