SCHEMBL6163960

SCHEMBL6163960

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.48
KLK1 P06870 1/20 0.48
MAOA P21397 1/20 0.46
EPHX2 P34913 2/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SNCA P37840 1/20 0.43
RORC P51449 1/20 0.42
IDO1 P14902 1/20 0.42
ROCK2 O75116 1/20 0.41
ELANE P08246 1/20 0.41
CHRM3 P20309 2/20 0.41
CLPP Q16740 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7106871 0.91 BRD4 (0.44) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL6166162 0.91 RAB9A (0.44) KLKB1KLK1KDM4EALDH1A1CHRM3
SCHEMBL7108857 0.90 POLB (0.46) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL7100385 0.89 POLB (0.43) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL6161408 0.89 CHRM2 (0.42) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL6163869 0.87 POLB (0.45) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL7108911 0.87 POLB (0.42) KLKB1KLK1KDM4EALDH1A1HSD17B10
SCHEMBL6163207 0.86 TSHR (0.46) KDM4EALDH1A1HSD17B10ELANE
SCHEMBL7105719 0.86 POLB (0.47) KLKB1KLK1ELANESMN1; SMN2
SCHEMBL7107098 0.85 PDK1 (0.42) KLKB1KLK1KDM4EALDH1A1HSD17B10

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 692/4885MAOA 166/4885

“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.