SCHEMBL851993

SCHEMBL851993

CCOC(=O)c1ccc(Oc2ccc(C#N)cc2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
EGLN1 Q9GZT9 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
F10 P00742 1/20 0.44
P2RX3 P56373 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GPR55 Q9Y2T6 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ELANE P08246 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8509642 0.87 F10 (0.58) KDM4EEGLN1NPSR1SMN1; SMN2TSHR
SCHEMBL19808837 0.86 P2RX3 (0.48) KDM4EEGLN1SMN1; SMN2MAPK1CYP11B1
SCHEMBL851875 0.82 POLB (0.44) KDM4ETSHRF10P2RX3ALDH1A1
SCHEMBL8512629 0.82 L3MBTL1 (0.55) KDM4EEGLN1NPSR1SMN1; SMN2TSHR
SCHEMBL8508932 0.80 F10 (0.52) KDM4EEGLN1NPSR1SMN1; SMN2TSHR
SCHEMBL8508907 0.80 F10 (0.52) KDM4EEGLN1NPSR1SMN1; SMN2TSHR
SCHEMBL851195 0.78 F2 (0.58) KDM4EEGLN1NPSR1SMN1; SMN2TSHR
SCHEMBL31618804 0.76 NNMT (0.47) KDM4ESMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL3802758 0.76 ALDH1A1 (0.50) KDM4ESMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL19808830 0.75 KDM4E (0.47) KDM4EEGLN1SMN1; SMN2MAPK1CYP11B1

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 2063/4885EGLN1 1197/4885NPSR1 1793/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 KDM4E 2063/4885EGLN1 1197/4885NPSR1 1793/4885

“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.