SCHEMBL851547

SCHEMBL851547

CCOC(=O)c1cc(F)c(Oc2ccc(C#N)cc2)nc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GPR55 Q9Y2T6 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
F10 P00742 3/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
POLB P06746 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL850978 0.88 F10 (0.43) F10CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL8508907 0.79 F10 (0.52) KDM4EHTTSMN1; SMN2L3MBTL1GPR55
SCHEMBL8508932 0.79 F10 (0.52) KDM4EHTTSMN1; SMN2L3MBTL1GPR55
SCHEMBL921728 0.73 SCN9A (0.49) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7366578 0.73 TDP1 (0.50) SMN1; SMN2L3MBTL1KMT2AALDH1A1TDP1
SCHEMBL8509642 0.72 F10 (0.58) KDM4EHTTSMN1; SMN2L3MBTL1GPR55
SCHEMBL8512629 0.72 L3MBTL1 (0.55) KDM4EHTTSMN1; SMN2L3MBTL1GPR55
SCHEMBL14640529 0.70 MAPT (0.58) KDM4EHTTL3MBTL1GPR55NPSR1
SCHEMBL850967 0.70 ELANE (0.53) KDM4EHTTL3MBTL1GPR55NPSR1
SCHEMBL15660771 0.69 ELANE (0.45) KDM4EHTTSMN1; SMN2F10CYP1A2

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 2063/4885HTT 3759/4885SMN1; SMN2 2076/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 KDM4E 2063/4885HTT 3759/4885SMN1; SMN2 2076/4885

“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.