SCHEMBL6541398

SCHEMBL6541398

COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.63
MAPT P10636 1/20 0.61
NR1H4 Q96RI1 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.58
MAPK14 Q16539 1/20 0.57
PPARD Q03181 1/20 0.55
SIRT2 Q8IXJ6 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
AR P10275 1/20 0.54
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PLAU P00749 1/20 0.53

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
SCHEMBL6542026 0.83 ABCB1 (0.55) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6541886 0.81 MAPT (0.62) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL6773073 0.80 VNN1 (0.55) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL6542424 0.80 MAPT (0.60) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL6774760 0.80 MAPT (0.60) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL4395747 0.79 RXFP1 (0.74) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL31061491 0.79 KCNK3 (0.73) RXFP1MAPTMEN1KMT2APOLB
SCHEMBL5226517 0.78 NPC1 (0.76) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL666216 0.78 MAPK14 (0.74) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL15530495 0.77 RXFP1 (1.00) RXFP1NR1H4

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 RXFP1 426/4885MAPT 4629/4885NR1H4 3141/4885

“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.