SCHEMBL20008747

SCHEMBL20008747

COCCOCCCOc1ccc(C(=O)Oc2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
PRSS1 P07477 3/20 0.46
ACR P10323 2/20 0.46
MAPT P10636 6/20 0.44
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
ADRA2B P18089 1/20 0.43
OPRD1 P41143 1/20 0.43
SCN5A Q14524 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TMPRSS2 O15393 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.40

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 0.88 KMT2A (0.43) KMT2APRSS1ACRMAPTCYP3A4
SCHEMBL20008743 0.87 TMPRSS2 (0.57) PRSS1ACRTMPRSS2CYP2D6
SCHEMBL20008749 0.82 KMT2A (0.53) KMT2APRSS1ACRMAPTMEN1
SCHEMBL20008755 0.81 TMPRSS2 (0.66) PRSS1ACRTMPRSS2CYP2D6
SCHEMBL9617543 0.81 HRH3 (0.54) KMT2APRSS1ACRMAPTMEN1
SCHEMBL7328271 0.80 ACR (0.58) KMT2APRSS1ACRMAPTMEN1
SCHEMBL10956570 0.80 KMT2A (0.56) KMT2APRSS1ACRMAPTCYP3A4
SCHEMBL9785653 0.80 ALDH1A1 (0.44) KMT2APRSS1ACRMAPTMEN1
SCHEMBL20008750 0.80 F12 (0.55) PRSS1ACRMAPTADRA2BTMPRSS2
SCHEMBL9785626 0.80 KMT2A (0.45) KMT2APRSS1ACRMAPTMEN1

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 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885

“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.