SCHEMBL6166642

SCHEMBL6166642

CCOC(=O)CNC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IDH1 O75874 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
SNCA P37840 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
SCHEMBL6181404 0.96 KLKB1 (0.44) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL6170882 0.88 MAPT (0.45) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL6165876 0.87 MAPT (0.39) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL6163869 0.84 POLB (0.45) KLKB1KLK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7105089 0.84 KLKB1 (0.46) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL7106232 0.84 CYP11B1 (0.43) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL6164249 0.84 POLB (0.40) KLKB1KLK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6163207 0.83 TSHR (0.46) GRIA2GRIN1GRIN2AALDH1A1IDH1
SCHEMBL7105719 0.83 POLB (0.47) KLKB1KLK1GRIA2GRIN1GRIN2A
SCHEMBL6164552 0.81 BRD4 (0.50) KLKB1KLK1BRD4IDH1LMNA

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 KLKB1 530/4885KLK1 692/4885GRIA2 4204/4885

“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.