SCHEMBL6161709

SCHEMBL6161709

N#Cc1ccccc1-c1ccc(NC(=O)c2cccnc2-c2cccc(N)c2C=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
F10 P00742 3/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TRPV1 Q8NER1 4/20 0.42
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
PRKCI P41743 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
TLK2 Q86UE8 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL6163142 0.86 F10 (0.39) HDAC1F10TRPV1PRKDCATM
SCHEMBL6166344 0.85 F10 (0.41) HDAC1F10F2PRSS1PRSS2
SCHEMBL6164432 0.85 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164926 0.84 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162566 0.83 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164025 0.81 F10 (0.51) HDAC1F10F2PRSS1PRSS2
SCHEMBL6163782 0.79 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164362 0.78 F2 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL6185412 0.77 F10 (0.47) HDAC1F10F2PRSS1PRSS2
SCHEMBL6164014 0.75 F10 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 533/4885F10 11/4885F2 1/4885

“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.