SCHEMBL6166510

SCHEMBL6166510

COC(=O)C(c1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GPR139 Q6DWJ6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
MGLL Q99685 2/20 0.43
S1PR3 Q99500 1/20 0.43
HPGDS O60760 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 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
SCHEMBL4388878 0.87 CACNA1F (0.39) KMT2AGPR139MEN1ALDH1A1TNF
SCHEMBL6163842 0.86 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1TDP1HTT
SCHEMBL6164919 0.83 GRM4 (0.48) GPR139CNR1CNR2MGLLS1PR3
SCHEMBL3937797 0.82 PTGS1 (0.56) KMT2AGPR139PTGS1PTGS2CNR1
SCHEMBL1565661 0.82 GRM4 (0.45) KMT2AGPR139CNR1CNR2MEN1
SCHEMBL1565662 0.82 GRM4 (0.45) KMT2AGPR139CNR1CNR2MEN1
SCHEMBL4386768 0.81 FFAR1 (0.41) GPR139CNR1TNFCACNA1FCACNA1D
SCHEMBL14660829 0.81 GSK3B (0.42) KMT2AGPR139CNR1CNR2MEN1
SCHEMBL7116483 0.81 GSK3B (0.49) KMT2AGPR139CNR1CNR2MEN1
SCHEMBL1578804 0.80 KMT2A (0.69) KMT2AL3MBTL1PTGS1PTGS2ALDH1A1

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 KMT2A 2054/4885GPR139 2168/4885L3MBTL1 3939/4885

“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.