SCHEMBL15075865

SCHEMBL15075865

Cn1[nH]c(=O)c2c1[nH]n2CC(N)=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ GAA P10253 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
SCHEMBL19036570 0.73 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL15384320 0.60 TRPA1 (0.49) SMN1; SMN2
SCHEMBL17636201 0.58 IKBKB (0.31) —
SCHEMBL7165261 0.50 GSK3A (0.50) ALDH1A1TP53SMN1; SMN2
SCHEMBL14769217 0.50 TSHR (0.52) ALDH1A1SMN1; SMN2
SCHEMBL11711490 0.49 HPGD (0.46) ALDH1A1SMN1; SMN2GAA
SCHEMBL21092944 0.47 KDM4E (0.45) TP53DAO
SCHEMBL458012 0.46 KDM4E (0.68) ALDH1A1SMN1; SMN2GAA
SCHEMBL5307853 0.46 — —
SCHEMBL15387022 0.46 — —

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885TP53 1505/4885SMN1; SMN2 1895/4885

“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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