SCHEMBL6765900

SCHEMBL6765900

CCOC(=O)c1nnnn1-c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
MAPK10 P53779 1/20 0.48
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
DHODH Q02127 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7349403 0.86 MAPK10 (0.42) KDM4ENPC1MAPK10TP53ALOX12
SCHEMBL8162436 0.84 TP53 (0.62) KDM4ETP53ALOX12ALDH1A1MAPT
SCHEMBL22920660 0.81 KDM4E (0.57) KDM4ENPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6172510 0.81 SMN1; SMN2 (0.62) KDM4ETP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL8163621 0.80 LMNA (0.49) TP53ALOX12ALDH1A1MAPTSMN1; SMN2
SCHEMBL6765042 0.79 KDM4E (0.54) KDM4ENPC1MAPK10TP53ALOX12
SCHEMBL3831656 0.77 ALDH1A1 (0.50) KDM4ETP53ALOX12ALDH1A1MAPT
SCHEMBL1740575 0.76 KDM4E (0.57) KDM4ENPC1TP53ALDH1A1MAPT
SCHEMBL6764400 0.76 KDM4E (0.57) KDM4ENPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5376137 0.75 SMN1; SMN2 (0.39) KDM4ETP53ALDH1A1MAPTSMN1; 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 3613/4885MAPK10 1440/4885

“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.