SCHEMBL23660702

SCHEMBL23660702

NC(=O)/C=C/C=C/n1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.34
ALDH1A1 P00352 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL28300974 0.87 TBXAS1 (0.36) TBXAS1ALDH1A1PDE3BPDE3AEGLN3
SCHEMBL6343791 0.73 TBXAS1 (0.44) TBXAS1ALDH1A1EGLN3
SCHEMBL7827324 0.73 TBXAS1 (0.44) TBXAS1ALDH1A1EGLN3
SCHEMBL7603750 0.72
SCHEMBL7603748 0.72
SCHEMBL28774624 0.72 TBXAS1 (0.36) TBXAS1ALDH1A1PDE3BPDE3AEGLN3
Acrylamide SCHEMBL3413886 0.70 ALDH1A1 (0.42) TBXAS1ALDH1A1EGLN3
SCHEMBL17278171 0.70 TBXAS1 (0.31) TBXAS1PDE3BPDE3A
SCHEMBL27697140 0.68 NFE2L2 (0.44) TBXAS1ALDH1A1
SCHEMBL3947319 0.68 HTT (0.34) TBXAS1ALDH1A1PDE3BPDE3AEGLN3

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-20210219545-A1 COMPOSITIONS AND METHODS FOR LONG LASTING DISINFECTION RHODIA OPERATIONS (FR) 2021-07-22 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-20210219545-A1 COMPOSITIONS AND METHODS FOR LONG LASTING DISINFECTION DNMT3A, RAD51, POLL TBXAS1 4080/4885ALDH1A1 890/4885PDE3B 3447/4885

“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.