SCHEMBL6774121

SCHEMBL6774121

CCOc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2cccc(/C(N)=N\O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 6/20 0.45
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK10 P53779 1/20 0.44
PLK1 P53350 1/20 0.43
PKM P14618 2/20 0.42
EGFR P00533 1/20 0.41
ERBB3 P21860 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 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
SCHEMBL6774127 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7053464 0.89 HDAC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6771915 0.88 PLAU (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6772370 0.84 KCNK9 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6772377 0.84 KCNK9 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6541811 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6772167 0.83 FADS1 (0.41) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL6772160 0.83 FADS1 (0.41) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5224278 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6771748 0.81 HDAC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2ATP53

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 NPC1 1837/4885RAB9A 2402/4885SMN1; SMN2 3164/4885

“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.