SCHEMBL20008758

SCHEMBL20008758

N=C(N)Nc1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(NC(N)N)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20008762 0.84 KMT2A (0.43) ATMKMT2APRSS1ACRITGB3
SCHEMBL20008741 0.83 ITGB3 (0.50) PRSS1ACRITGB3ITGA2B
SCHEMBL20008757 0.77 F12 (0.51) PRSS1ITGB3ITGA2BMAPT
SCHEMBL21119485 0.76 ATM (0.47) ATMKMT2APRSS1ACRITGB3
SCHEMBL20008747 0.74 KMT2A (0.49) KMT2APRSS1ACRMAPTKDM4E
SCHEMBL20008749 0.74 KMT2A (0.53) KMT2APRSS1ACRMAPTKDM4E
SCHEMBL20008745 0.74 ITGB3 (0.47) KMT2APRSS1ACRITGB3ITGA2B
SCHEMBL16383778 0.73 KLK7 (0.46) KMT2APRSS1MAPTKDM4ESMN1; SMN2
SCHEMBL10956570 0.73 KMT2A (0.56) KMT2APRSS1ACRMAPTKDM4E
SCHEMBL11304343 0.71 POLB (0.48) KMT2AITGB3ITGA2BMAPT

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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 ATM 4856/4885KMT2A 1946/4885CA12 3126/4885

“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.