SCHEMBL6166155

SCHEMBL6166155

N#Cc1cccc(-c2ccccc2CO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.68
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PDK2 Q15119 2/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.44
MAOB P27338 1/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41
PTPN5 P54829 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 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
SCHEMBL6167622 0.83 ADRA2C (0.77) ADRA2CPDK2CLK4PTGDR2MAOB
SCHEMBL10980808 0.83 ADRA2C (0.68) ADRA2CCLK4PTGDR2MAOBGABRG2
SCHEMBL6165241 0.83 ADRA2C (0.68) ADRA2CPDK2CLK4PTGDR2MAOB
SCHEMBL28725605 0.83 ADRA2C (0.68) ADRA2CPDK2CLK4PTGDR2MAOB
SCHEMBL6162265 0.82 MMP3 (0.45) ADRA2CPDCD1CD274PDK2PTGDR2
SCHEMBL3422474 0.82 ADRA2C (0.60) ADRA2CPDK2CLK4MAOBGABRG2
SCHEMBL31272452 0.82 ADRA2C (0.60) ADRA2CPDK2CLK4MAOBGABRG2
SCHEMBL996127 0.82 ADRA2C (0.64) ADRA2CPDK2CLK4MAOBGABRG2
SCHEMBL6164911 0.81 ADRA2C (0.61) ADRA2CPTGDR2MAOBXDHSLC22A12
SCHEMBL3065142 0.80 SLC22A12 (0.49) ADRA2CCLK4MAOBKCNA5CYP1A2

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 1810/4885PDCD1 1905/4885CD274 3646/4885

“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.