SCHEMBL10151289

SCHEMBL10151289

CNc1ncn(CC(N)=O)c1C(O)NC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.32
▸ YTHDC1 Q96MU7 3/20 0.31
▸ P2RY1 P47900 3/20 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
SCHEMBL10280149 0.74 TRPA1 (0.36) TRPA1RXFP1YTHDC1P2RY1
SCHEMBL19036405 0.71 TRPA1 (0.34) TRPA1RXFP1YTHDC1P2RY1
SCHEMBL27535381 0.64 PDE4A (0.37) TRPA1YTHDC1
SCHEMBL20161661 0.63 TRPA1 (0.35) TRPA1RXFP1
SCHEMBL19036512 0.63 P2RY1 (0.37) YTHDC1P2RY1
SCHEMBL15384376 0.61 TRPA1 (0.33) TRPA1RXFP1
SCHEMBL13384290 0.60 TRPA1 (0.36) TRPA1RXFP1
SCHEMBL1178676 0.60 CYP19A1 (0.39) TRPA1
SCHEMBL19036600 0.59 YTHDC1 (0.37) YTHDC1P2RY1
SCHEMBL18256648 0.59 YTHDC1 (0.40) YTHDC1

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 TRPA1 123/4885RXFP1 3119/4885YTHDC1 4155/4885

“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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