SCHEMBL850679

SCHEMBL850679

N#Cc1ccc(Oc2nc(Oc3ccc(OC(F)(F)F)cc3)ccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
NTRK1 P04629 1/20 0.42
KDM4E B2RXH2 3/20 0.39
EPHX2 P34913 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
FAAH O00519 1/20 0.38
DHODH Q02127 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
LMNA P02545 2/20 0.37
TRPA1 O75762 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL851729 1.00 F10 (0.46) F10NTRK1KDM4EEPHX2POLB
SCHEMBL8509596 0.90 F10 (0.53) F10KDM4EPOLBTDP1MAP4K4
SCHEMBL852030 0.87 F10 (0.48) F10KDM4EPOLBTDP1MAP4K4
SCHEMBL8508932 0.86 F10 (0.52) F10KDM4EEPHX2POLBTDP1
SCHEMBL8508907 0.86 F10 (0.52) F10KDM4EEPHX2POLBTDP1
SCHEMBL850978 0.76 F10 (0.43) F10NTRK1DHODHSCN9AHAO1
SCHEMBL8509642 0.76 F10 (0.58) F10KDM4EPOLBTDP1EGLN1
SCHEMBL6576129 0.76 F10 (0.65) F10MAP4K4EGLN1HAO1
SCHEMBL8512629 0.74 L3MBTL1 (0.55) F10KDM4EPOLBTDP1EGLN1
SCHEMBL19808926 0.73 GABRP (0.47) KDM4EPOLBMAP4K4EGLN1PARP15

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 4 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
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP 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 152/4885NTRK1 4502/4885KDM4E 2063/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885NTRK1 4502/4885KDM4E 2063/4885

“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.