SCHEMBL6166508

SCHEMBL6166508

COC(=O)Cc1ccccc1-c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.56
EGLN1 Q9GZT9 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KCNA5 P22460 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 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
SCHEMBL6163833 0.85 AR (0.44) EGLN1PTGDR2CHRM3KCNA5
SCHEMBL6164911 0.83 ADRA2C (0.61) ADRA2CPTGDR2LMNAPTGER1PTGER4
SCHEMBL10980808 0.80 ADRA2C (0.68) ADRA2CPTGDR2CYP1A2CYP3A4CYP2C19
SCHEMBL7353766 0.80 KMT2A (0.51) CYP2D6LMNAKMT2APTGER1PTGER4
SCHEMBL6165957 0.80 LMNA (0.64) ADRA2CALDH1A1MAPK1TSHRLMNA
SCHEMBL7108448 0.79 LMNA (0.53) ADRA2CPTGDR2ALDH1A1MAPK1LMNA
SCHEMBL31225965 0.78 MMP12 (0.52) EGLN1LMNA
SCHEMBL20730124 0.78 CFD (0.50) CHRM3MAPK1PTGER1PTGER4PTGER3
Hydrogen Sulfide SCHEMBL28029150 0.78 KMT2A (0.50) CYP2D6LMNAKMT2APTGER1PTGER4
SCHEMBL4388872 0.78 CNR2 (0.49) EGLN1PTGDR2CLK4

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 ADRA2C 1810/4885EGLN1 1101/4885PTGDR2 2161/4885

“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.