SCHEMBL6765042

SCHEMBL6765042

CCOC(=O)c1cnnn1-c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
GAA P10253 3/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
DHODH Q02127 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 4/20 0.42
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GABRA2 P47869 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
SCHEMBL8156087 0.85 TP53 (0.58) KDM4EGAATP53ALOX12SMN1; SMN2
SCHEMBL6764400 0.82 KDM4E (0.57) KDM4ENPC1GAARAB9ASMN1; SMN2
SCHEMBL8156170 0.81 IDO1 (0.46) KDM4ETP53ALOX12RAB9ASMN1; SMN2
SCHEMBL14711072 0.80 SLC5A1 (0.50) NPC1TP53ALOX12RAB9ASMN1; SMN2
SCHEMBL28824024 0.79 SMN1; SMN2 (0.45) KDM4ENPC1GAATP53ALOX12
SCHEMBL6765900 0.79 KDM4E (0.53) KDM4ENPC1MAPK10GAATP53
SCHEMBL28824021 0.77 LMNA (0.44) KDM4ETP53ALOX12RAB9ASMN1; SMN2
SCHEMBL28824003 0.77 SCN9A (0.46) KDM4ENPC1GAATP53RAB9A
SCHEMBL1740575 0.77 KDM4E (0.57) KDM4ENPC1GAATP53SIGMAR1
SCHEMBL22920660 0.77 KDM4E (0.57) KDM4ENPC1GAARAB9ASMN1; SMN2

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 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-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 KDM4E 3940/4885NPC1 3613/4885MAPK9 1412/4885

“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.