SCHEMBL6163207

SCHEMBL6163207

CCOC(=O)c1cn(Cc2ccccc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
IDH1 O75874 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 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
SCHEMBL7108857 0.96 POLB (0.46) TSHRPOLBELANERXFP1PTGS1
SCHEMBL7105719 0.96 POLB (0.47) TSHRPOLBELANERXFP1PTGS1
SCHEMBL7106877 0.95 PDE3B (0.42) TSHRPOLBELANERXFP1PTGS1
SCHEMBL6170882 0.95 MAPT (0.45) TSHRPOLBELANERXFP1PTGS1
SCHEMBL6163869 0.91 POLB (0.45) TSHRPOLBELANERXFP1PTGS1
SCHEMBL7106932 0.90 POLB (0.44) TSHRPOLBELANERXFP1PTGS1
SCHEMBL6164731 0.89 TSHR (0.45) TSHRELANEPTGS1PTGS2PDE3B
SCHEMBL6163697 0.89 TSHR (0.45) TSHRELANEPTGS1PTGS2PDE3B
SCHEMBL7100385 0.89 POLB (0.43) POLBELANERXFP1PTGS1PTGS2
SCHEMBL7105819 0.88 KDM4E (0.47) POLBELANERXFP1ALDH1A1KDM4E

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 TSHR 1192/4885POLB 3482/4885ELANE 130/4885

“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.