SCHEMBL851561

SCHEMBL851561

CCOC(=O)c1cc(Oc2ccc(C#N)cn2)cc(Oc2ccc(C#N)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PDE4B Q07343 2/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
P2RX3 P56373 2/20 0.43
OPRM1 P35372 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ELANE P08246 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL851271 0.81 PARP15 (0.53) KDM4ETDP1LMNAMAPTELANE
SCHEMBL850540 0.81 PDE4B (0.48) PDE4BF2F10FPR2SCN9A
SCHEMBL851195 0.80 F2 (0.58) KDM4EF2F10TDP1LMNA
SCHEMBL851619 0.76 RAB9A (0.58) KDM4ETDP1MAPTTSHR
SCHEMBL2333525 0.76 KDM4E (0.49) KDM4ELMNAMAPTTSHRELANE
SCHEMBL8513184 0.75 F10 (0.50) F2F10TDP1MAPTELANE
SCHEMBL851126 0.74 CA12 (0.56) KDM4ETDP1LMNAMAPTELANE
SCHEMBL6161241 0.74 OPRM1 (0.58) KDM4EPDE4BP2RX3OPRM1ALDH1A1
SCHEMBL6579275 0.74 F10 (0.67) KDM4EF2F10TDP1LMNA
SCHEMBL852068 0.74 ST14 (0.49) KDM4EF2F10TDP1LMNA

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-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
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 (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 KDM4E 2063/4885PDE4B 1929/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 KDM4E 2063/4885PDE4B 1929/4885F2 112/4885

“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.