SCHEMBL20008631

SCHEMBL20008631

CC(C)(C)c1cc(NC(=N)N)ccc1OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 4/20 0.49
NR1H4 Q96RI1 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
PRSS1 P07477 2/20 0.40
TMPRSS15 P98073 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL20008627 0.82 PRSS1 (0.47) KMT2AMAPTMEN1TDP1ATM
SCHEMBL20012325 0.81 NR1H4 (0.43) KMT2AMAPTMEN1NR1H4TDP1
SCHEMBL6674203 0.79 ESR1 (0.57) KMT2AMAPTMEN1NR1H4TDP1
SCHEMBL4335496 0.78 NR1H4 (0.50) KMT2AMAPTMEN1NR1H4TDP1
SCHEMBL18720227 0.76 KMT2A (0.44) KMT2AMAPTMEN1TDP1L3MBTL1
SCHEMBL11392449 0.76 MAPT (0.49) KMT2AMAPTMEN1TDP1ATM
SCHEMBL8844966 0.76 TDP1 (0.60) KMT2AMAPTMEN1TDP1ATM
Benzamide SCHEMBL21771957 0.76 TDP1 (0.54) KMT2AMAPTMEN1NR1H4TDP1
Benzamide SCHEMBL21771961 0.76 PARP10 (0.49) KMT2AMAPTMEN1TDP1ATM
SCHEMBL21819813 0.76 ALDH1A1 (0.48) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2

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
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
US-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US disclosed
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 (4 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MAPT 922/4885MEN1 4875/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MAPT 922/4885MEN1 4875/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MAPT 922/4885MEN1 4875/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MAPT 922/4885MEN1 4875/4885

“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.