SCHEMBL6779755

SCHEMBL6779755

CCOC(=O)NN=Cc1cccc(C(=O)c2cccc(N)c2NC(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NPC1 O15118 6/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MIF P14174 1/20 0.41
ATM Q13315 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL6885922 0.92 MAPT (0.48) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL6770993 0.88 KDM4E (0.46) MAPTNPC1HPGDRAB9AALDH1A1
Hydrochloric Acid SCHEMBL7674182 0.84 HDAC1 (0.46) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL6779751 0.81 ALDH1A1 (0.44) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL5226432 0.77 HDAC1 (0.53) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL5224278 0.77 NPC1 (0.58) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL7246022 0.75 HDAC1 (0.59) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7053464 0.75 HDAC1 (0.48) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7244781 0.75 CYP2C9 (0.56) MAPTNPC1HPGDRAB9AALDH1A1
Hydrochloric Acid SCHEMBL6541779 0.74 HDAC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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 1837/4885HPGD 690/4885

“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.