SCHEMBL6542558

SCHEMBL6542558

CCOC(=O)COc1ccc(N)c(NC(=O)c2ccc(C(C)C)cc2)c1C(=O)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
VNN1 O95497 7/20 0.39
GAA P10253 2/20 0.39
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F10 P00742 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
GRM5 P41594 1/20 0.36

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
SCHEMBL6541792 0.91 VNN1 (0.39) VNN1HDAC1
SCHEMBL6541759 0.87 HDAC1 (0.39) MAPTVNN1HDAC1SETD7GRM5
Hydrochloric Acid SCHEMBL6772732 0.86 F10 (0.41) LMNAPOLBMAPTGAAKDM4E
SCHEMBL6772247 0.85 F10 (0.51) LMNAPOLBMAPTGAAHDAC1
SCHEMBL6542419 0.83 HDAC1 (0.45) MAPTVNN1HDAC1GRM5
SCHEMBL6542430 0.80 VNN1 (0.40) MAPTVNN1HDAC1GRM5
SCHEMBL6541880 0.79 HDAC1 (0.42) LMNAVNN1HDAC1GRM5
Ammonia Solution, Strong SCHEMBL7085792 0.78 VNN1 (0.40) VNN1
SCHEMBL6541471 0.77 HDAC1 (0.51) MAPTVNN1HDAC1GRM5
SCHEMBL6768317 0.77 F10 (0.42) HDAC1F10

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 LMNA 415/4885POLB 3397/4885MAPT 4629/4885

“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.