SCHEMBL3786236

SCHEMBL3786236

N#Cc1ccc(Oc2ccc(C(N)=O)c(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.62
PARP10 Q53GL7 2/20 0.62
PARP2 Q9UGN5 2/20 0.62
ICAM1 P05362 1/20 0.49
SELE P16581 1/20 0.49
VCAM1 P19320 1/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
IL18 Q14116 1/20 0.49
CTNNB1 P35222 1/20 0.45
CHEK2 O96017 1/20 0.44

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
SCHEMBL7690228 0.83 CTNNB1 (0.68) PARP15PARP10PARP2ICAM1SELE
SCHEMBL3793720 0.78 PARP10 (0.81) PARP15PARP10PARP2ICAM1SELE
SCHEMBL6629777 0.77 PARP10 (1.00) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL3789354 0.77 ST14 (0.62) PARP15PARP10PARP2KMT2ACTNNB1
SCHEMBL860477 0.76 PARP15 (0.49) PARP15PARP10PARP2ICAM1SELE
SCHEMBL7695689 0.74 CTNNB1 (0.62) KDM4ECTNNB1
SCHEMBL5901049 0.73 PARP15 (0.47) PARP15PARP10PARP2MAPTCASP1
SCHEMBL29019335 0.73 PARP15 (0.54) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL8546657 0.72 MERTK (0.52) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL8545963 0.72 PARP15 (0.45) PARP15PARP10PARP2KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885

“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.