SCHEMBL20008705

SCHEMBL20008705

N=C(N)c1ccc2cc(C(=O)Oc3ccccc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.61
PLG P00747 4/20 0.61
KLK1 P06870 4/20 0.61
PRSS1 P07477 4/20 0.61
F2 P00734 3/20 0.61
KLKB1 P03952 2/20 0.61
F12 P00748 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
TMPRSS2 O15393 1/20 0.58
MLNR O43193 1/20 0.58
C1R P00736 1/20 0.58
F10 P00742 1/20 0.58
LMNA P02545 1/20 0.58
ITGB3 P05106 1/20 0.58
HPN P05981 1/20 0.58
CHRM2 P08172 1/20 0.58
ITGA2B P08514 1/20 0.58
C1S P09871 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL10492936 0.89 PRSS1 (0.64) PLAUPLGKLK1PRSS1F2
SCHEMBL69953 0.88 MAPT (0.62) PRSS1ALDH1A1MAPTPARP10ACR
SCHEMBL7337750 0.88 F12 (0.71) PLAUPLGKLK1PRSS1F2
SCHEMBL5330655 0.86 PARP10 (0.66) PRSS1F2F12MAPTF10
SCHEMBL418527 0.84 MAPT (0.68) PRSS1ALDH1A1MAPTLMNAPARP10
SCHEMBL72201 0.84 MAPT (0.62) PRSS1ALDH1A1MAPTPARP10ACR
SCHEMBL10960357 0.83 MAPT (0.57) PRSS1ALDH1A1MAPTPARP10ACR
SCHEMBL29637878 0.83 MAPT (0.57) PRSS1ALDH1A1MAPTPARP10ACR
SCHEMBL31380450 0.82 F12 (0.76) PLAUPLGKLK1PRSS1F2
SCHEMBL7744358 0.81 PARP10 (0.74) PLAUPRSS1F2F12ALDH1A1

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 PLAU 1879/4885PLG 1237/4885KLK1 3383/4885

“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.