SCHEMBL6541759

SCHEMBL6541759

CCOC(=O)Cc1ccc(N)c(NC(=O)c2ccc(C(C)C)cc2)c1C(=O)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
VNN1 O95497 3/20 0.39
SETD7 Q8WTS6 1/20 0.38
GRM5 P41594 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
ALOX15 P16050 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6541880 0.89 HDAC1 (0.42) HDAC1VNN1GRM5FNTAFNTB
SCHEMBL6542558 0.87 LMNA (0.40) HDAC1VNN1SETD7GRM5MAPT
SCHEMBL6542419 0.82 HDAC1 (0.45) HDAC1VNN1GRM5GPR139NPC1
SCHEMBL6541909 0.82 PDCD1 (0.42) VNN1SETD7GRM5ALOX15MAPT
SCHEMBL6541471 0.78 HDAC1 (0.51) HDAC1VNN1GRM5GPR139NPC1
SCHEMBL6541792 0.78 VNN1 (0.39) HDAC1VNN1GPR139CNR1CNR2
SCHEMBL6542430 0.77 VNN1 (0.40) HDAC1VNN1GRM5NPC1MAPT
Hydrochloric Acid SCHEMBL6767909 0.74 F10 (0.41) NPC1MAPTRAB9AKMT2A
SCHEMBL6778377 0.73 F10 (0.38) HDAC1NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6772732 0.73 F10 (0.41) MAPT

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 HDAC1 188/4885VNN1 109/4885SETD7 1753/4885

“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.