SCHEMBL6166344

SCHEMBL6166344

CCOC(=O)ON=Cc1c(N)cccc1-c1ncccc1C(=O)Nc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
HDAC1 Q13547 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
NPY2R P49146 3/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL6161709 0.85 HDAC1 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL6166341 0.78 TRPV1 (0.37) F10F2PRSS1PRSS2PRSS3
SCHEMBL6163142 0.76 F10 (0.39) F10HDAC1TRPV1PSEN1PSEN2
SCHEMBL6164025 0.76 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6185412 0.72 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164926 0.72 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164014 0.72 F10 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164432 0.71 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162566 0.71 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL6161703 0.69 TRPV1 (0.41) F10F2PRSS1PRSS2PRSS3

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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 (1 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI F10 11/4885F2 1/4885PRSS1 43/4885

“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.