SCHEMBL6774760

SCHEMBL6774760

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.57
RXFP1 Q9HBX9 2/20 0.55
PPARD Q03181 1/20 0.54
PKM P14618 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
MT-CO2 P00403 1/20 0.51
TOP1 P11387 1/20 0.51
PTGS2 P35354 1/20 0.51
F10 P00742 2/20 0.50

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
SCHEMBL6542424 1.00 MAPT (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6541886 0.87 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6542418 0.80 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6541398 0.80 RXFP1 (0.63) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL15413191 0.79 NPC1 (0.78) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL15412987 0.78 NPC1 (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5226517 0.77 NPC1 (0.76) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6542025 0.77 NR1H4 (0.76) RXFP1PPARDSMN1; SMN2
SCHEMBL6542022 0.77 NR1H4 (0.76) RXFP1PPARDSMN1; SMN2
SCHEMBL14880379 0.76 PKM (0.79) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 4629/4885NPC1 1837/4885RAB9A 2402/4885

“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.