SCHEMBL15075735

SCHEMBL15075735

CN1CN(CC(N)=O)c2c1n(C)c(=O)n(C)c2=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ APEX1 P27695 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL15075666 0.85 ALDH1A1 (0.34) L3MBTL1ALDH1A1KDM4EGLA
SCHEMBL19036662 0.77 ALDH1A1 (0.39) TSHRALDH1A1APEX1BLMSMN1; SMN2
SCHEMBL12713879 0.74 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL4058851 0.73 KMT2A (0.33) ALDH1A1KDM4EGLA
SCHEMBL4518207 0.72 TSHR (0.38) L3MBTL1TSHRALDH1A1KDM4EGLA
Iodide SCHEMBL1609671 0.71 KMT2A (0.32) ALDH1A1KDM4EGLA
SCHEMBL12473823 0.64 KMT2A (0.32) ALDH1A1KDM4EGLA
SCHEMBL15384434 0.62 ALDH1A1 (0.34) L3MBTL1TSHRALDH1A1APEX1BLM
SCHEMBL19036570 0.59 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EGLATRPA1
SCHEMBL31053599 0.57 TSHR (0.55) L3MBTL1TSHRALDH1A1KDM4EGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
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 L3MBTL1 1305/4885TSHR 4745/4885ALDH1A1 1104/4885

“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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