SCHEMBL8509596

SCHEMBL8509596

N#Cc1ccc(Oc2ccc(C(=O)O)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.53
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MAP4K4 O95819 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IL18 Q14116 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL852030 0.94 F10 (0.48) F10POLBTDP1PARP15PARP10
SCHEMBL851729 0.90 F10 (0.46) F10POLBTDP1PARP15PARP10
SCHEMBL850679 0.90 F10 (0.46) F10POLBTDP1PARP15PARP10
SCHEMBL6576129 0.84 F10 (0.65) F10MAP4K4EGLN1JAK2JAK1
SCHEMBL8509642 0.82 F10 (0.58) F10POLBTDP1KDM4EMEN1
SCHEMBL19808926 0.81 GABRP (0.47) POLBPARP15PARP10PARP2MAP4K4
SCHEMBL850593 0.81 F10 (0.52) F10EGLN1JAK2JAK1JAK3
SCHEMBL851706 0.79 SCN7A (0.55) F10POLBPRSS1PRSS2PRSS3
SCHEMBL8512629 0.77 L3MBTL1 (0.55) F10POLBTDP1KDM4EMEN1
SCHEMBL851191 0.77 TDP1 (0.52) TDP1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 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 (2 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 F10 152/4885POLB 1970/4885TDP1 715/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885POLB 1970/4885TDP1 715/4885

“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.