SCHEMBL15075645

SCHEMBL15075645

Cn1c2c(c(=O)[nH]c1=O)N(CC(N)=O)CN2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 4/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GFER P55789 1/20 0.32
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL15075698 0.81 EPHX2 (0.39) EPHX2GFER
SCHEMBL15075715 0.79 EPHX2 (0.35) EPHX2GFER
SCHEMBL4518207 0.78 TSHR (0.38) ALDH1A1TSHRAPEX1BLM
SCHEMBL15384434 0.77 ALDH1A1 (0.34) ALDH1A1TP53SMN1; SMN2TSHRAPEX1
SCHEMBL18819656 0.77 EPHX2 (0.35) SMN1; SMN2EPHX2GFER
SCHEMBL18819094 0.75 EPHX2 (0.34) ALDH1A1SMN1; SMN2EPHX2GFER
SCHEMBL19036662 0.74 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2TSHREPHX2
SCHEMBL18819443 0.73 EPHX2 (0.41) ALDH1A1EPHX2HPGDHSD17B10GFER
SCHEMBL15384407 0.72 TSHR (0.40) TSHRAPEX1BLM
SCHEMBL18819722 0.68 EPHX2 (0.37) ALDH1A1EPHX2HPGDHSD17B10GFER

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
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 — — WO 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 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.

Send feedback