SCHEMBL25447017

SCHEMBL25447017

CCC(=O)NCCNC(=O)c1cn(CC(=O)NCCNC(=O)C(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 10/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 2/20 0.38
SMYD3 Q9H7B4 1/20 0.37
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL21206316 0.95 SMYD3 (0.40) GLSGLAMAPK1SMYD3CYP2C19
SCHEMBL25447013 0.91 GLA (0.37) GLSGLAMAPK1SMYD3CYP2C19
SCHEMBL24125043 0.91 SMYD3 (0.37) GLSGLAMAPK1SMYD3CYP2C19
SCHEMBL23943180 0.87 MAPK1 (0.36) GLSGLAMAPK1SMYD3CYP2C19
SCHEMBL26409868 0.81 CYP2C19 (0.42) GLSCYP2C19ALDH1A1LMNA
SCHEMBL21538183 0.72 MEN1 (0.56) CYP2C19MEN1TSHRKMT2AALDH1A1
SCHEMBL20046976 0.71 ALDH1A1 (0.52) GLSGLAMAPK1MEN1TSHR
SCHEMBL21206323 0.70 CYP2C19 (0.35) GLSCYP2C19ALDH1A1LMNA
SCHEMBL15274453 0.68 LMNA (0.47) GLSMAPK1CYP2C19TSHRKMT2A
SCHEMBL4782298 0.68 SMYD3 (0.40) GLSGLAMAPK1SMYD3CYP2C19

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-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 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-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG GLS 2741/4885GLA 1222/4885MAPK1 3462/4885

“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.