SCHEMBL21291492

SCHEMBL21291492

CCOP(=O)(Cc1nc2c(cnn2C)c(=O)n1-c1ccccc1)OCC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 20/20 0.55
ALDH1A3 P47895 18/20 0.55
ALDH1A2 O94788 16/20 0.55

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
SCHEMBL19747379 0.84 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL939933 0.82 ALDH1A1 (0.64) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL21271734 0.79 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19747395 0.79 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL15865180 0.73 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL15865177 0.73 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19746635 0.72 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19746882 0.71 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL30358125 0.71 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH1A2
SCHEMBL19745999 0.70 ALDH1A1 (1.00) ALDH1A1ALDH1A3ALDH1A2

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-11944626-B2 Small molecule inhibitors of ALDH and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-04-02 US disclosed
EP-3471712-B1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2024-01-03 EP disclosed
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-08-22 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 (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-11944626-B2 Small molecule inhibitors of ALDH and uses thereof ALDH2, ALDH1A1, ALDH3A1 ALDH1A1 2/4885ALDH1A3 9/4885ALDH1A2 4/4885
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF ALDH2, ALDH1A1, ALDH3A1 ALDH1A1 2/4885ALDH1A3 9/4885ALDH1A2 4/4885

“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.