SCHEMBL6163833

SCHEMBL6163833

COC(=O)Cc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
STAT3 P40763 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
HTT P42858 1/20 0.41
CHRM3 P20309 1/20 0.40
MMP3 P08254 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
MMP2 P08253 1/20 0.39
KCNA5 P22460 2/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ABCB1 P08183 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL6166508 0.85 ADRA2C (0.56) PTGDR2EGLN1CHRM3KCNA5
SCHEMBL7353766 0.83 KMT2A (0.51) HTT
SCHEMBL6167998 0.82 PTGDR2 (0.55) PTGDR2MMP3LTB4R2MMP2
Hydrogen Sulfide SCHEMBL28029150 0.82 KMT2A (0.50) HTT
SCHEMBL28321278 0.82 ACLY (0.48) HTTHPGD
SCHEMBL3550978 0.79 FOLH1 (0.50) HTT
SCHEMBL19741474 0.79 ALDH1A1 (0.47) ARHPGD
SCHEMBL6167046 0.79 RORC (0.49) HTTHPGD
SCHEMBL1919862 0.78 DRD1 (0.46) HPGD
SCHEMBL8266911 0.78 CYP4F2 (0.44)

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 AR 2202/4885STAT3 2382/4885PTGDR2 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.