SCHEMBL851528

SCHEMBL851528

CCOC(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
AR P10275 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ELANE P08246 1/20 0.42
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
HTR2A P28223 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE5A O76074 1/20 0.41
SCN9A Q15858 1/20 0.41
TBXA2R P21731 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL851271 0.88 PARP15 (0.53) KDM4EPARP15PARP10PARP2ELANE
SCHEMBL851240 0.83 FFAR1 (0.55) FFAR1ARMRGPRX4KDM4EPARP15
SCHEMBL851126 0.81 CA12 (0.56) PTGS1PTGS2KDM4EPARP15PARP10
SCHEMBL852068 0.80 ST14 (0.49) KDM4EPARP15PARP10PARP2ELANE
SCHEMBL851619 0.79 RAB9A (0.58) FFAR1KDM4EPARP15PARP10PARP2
SCHEMBL851554 0.77 FFAR1 (0.53) FFAR1MRGPRX4KCNH2
SCHEMBL8513184 0.77 F10 (0.50) PTGS1PTGS2ELANEMAPTTDP1
SCHEMBL851195 0.76 F2 (0.58) KDM4EPARP15PARP10PARP2ELANE
SCHEMBL27371999 0.75 MAPT (0.52) FFAR1PTGS2KDM4EMAPTTDP1
Benzene SCHEMBL27396912 0.75 MAPT (0.50) FFAR1KDM4EMAPTTDP1GAA

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 FFAR1 3640/4885AR 1484/4885MRGPRX4 363/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885AR 1484/4885MRGPRX4 363/4885

“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.