SCHEMBL4518207

SCHEMBL4518207

Cn1c2c(c(=O)n(C)c1=O)N(CC(N)=O)CN2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ THRB P10828 1/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ TRPA1 O75762 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 0.80 ALDH1A1 (0.40) ALDH1A1THRBL3MBTL1KDM4EMAPT
SCHEMBL4532619 0.80 ALDH1A1 (0.41) TSHRALDH1A1THRBL3MBTL1KDM4E
SCHEMBL15075645 0.78 ALDH1A1 (0.39) TSHRALDH1A1APEX1BLM
SCHEMBL19036772 0.78 ALDH1A1 (0.36) ALDH1A1THRBKDM4EMAPTPOLB
SCHEMBL15384434 0.75 ALDH1A1 (0.34) TSHRALDH1A1APEX1BLML3MBTL1
SCHEMBL17619852 0.75 TRPA1 (0.55) MAPTTRPA1
SCHEMBL17619749 0.75 TRPA1 (0.57) TRPA1
SCHEMBL19919915 0.75 DNM1 (0.36) TSHRALDH1A1KDM4EPOLB
SCHEMBL20161623 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPOLBTRPA1
SCHEMBL10587862 0.75 ALDH1A1 (0.38) ALDH1A1THRBBLML3MBTL1KDM4E

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 5 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
EP-2170309-B1 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) 2016-10-26 — — EP disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 — — US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — US disclosed
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 (3 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 TSHR 4745/4885ALDH1A1 1104/4885THRB 4543/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TSHR 4745/4885ALDH1A1 1104/4885THRB 4543/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TSHR 4745/4885ALDH1A1 1104/4885THRB 4543/4885

“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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