SCHEMBL4532619

SCHEMBL4532619

CCN1CNc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ RGS4 P49798 1/20 0.32
▸ RGS8 P57771 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL4532617 0.83 ALDH1A1 (0.40) ALDH1A1THRBPOLBMAPTL3MBTL1
SCHEMBL10587862 0.81 ALDH1A1 (0.38) ALDH1A1THRBPOLBMAPTL3MBTL1
SCHEMBL4518207 0.80 TSHR (0.38) ALDH1A1THRBPOLBMAPTL3MBTL1
SCHEMBL19036772 0.79 ALDH1A1 (0.36) ALDH1A1THRBPOLBMAPTKDM4E
SCHEMBL20161758 0.72 ALDH1A1 (0.38) ALDH1A1THRBPOLBMAPTL3MBTL1
SCHEMBL19036626 0.72 GAA (0.37) ALDH1A1THRBL3MBTL1
SCHEMBL20161623 0.70 ALDH1A1 (0.46) ALDH1A1POLBMAPTKDM4E
SCHEMBL12293892 0.66 — —
SCHEMBL8443038 0.64 POLB (0.39) ALDH1A1THRBPOLBMAPTL3MBTL1
SCHEMBL20561158 0.64 ALDH1A1 (0.62) ALDH1A1POLBMAPTTSHR

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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 — — 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885THRB 4543/4885POLB 2332/4885

“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.

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