SCHEMBL6541985

SCHEMBL6541985

CCOC(=O)Cc1ccc(NC(=O)c2cccc(C#N)c2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
GRM5 P41594 2/20 0.46
HDAC3 O15379 1/20 0.45
ALOX15 P16050 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
HDAC1 Q13547 1/20 0.41
CCR2 P41597 1/20 0.41
MAPK1 P28482 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6542707 0.84 KMT2A (0.56) HTTMEN1KMT2AGAAGRM5
SCHEMBL5725267 0.77 PDCD1 (0.54) GRM5ALOX15PDCD1CD274LMNA
SCHEMBL30088453 0.77 PDCD1 (0.54) GRM5ALOX15PDCD1CD274LMNA
SCHEMBL10145965 0.75 HDAC3 (0.66) MEN1KMT2AGRM5HDAC3HDAC1
SCHEMBL6541909 0.74 PDCD1 (0.42) GAAGRM5ALOX15SETD7PDCD1
SCHEMBL1659817 0.72 GSK3B (0.57) MEN1KMT2AGAAGRM5ALOX15
SCHEMBL7458374 0.72 GAA (0.56) GAAGRM5PDCD1CD274SMN1; SMN2
SCHEMBL7375760 0.72 GAA (0.67) MEN1KMT2AGAAGRM5HDAC3
SCHEMBL6542725 0.70 HDAC1 (0.58) MEN1KMT2AGAAGRM5HDAC3
SCHEMBL28584080 0.70 MAPT (0.54) MEN1KMT2AGAAGRM5MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 HTT 3496/4885MEN1 611/4885KMT2A 2684/4885

“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.