SCHEMBL6769727

SCHEMBL6769727

CCOC(=O)c1cn(-c2ccc3ccccc3c2)nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA4 P22748 2/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
ESRRA P11474 3/20 0.53
NOTUM Q6P988 4/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SPR P35270 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MIF P14174 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL72211 0.84 ALDH1A1 (0.63) NPC1CA1CA2CA9CA4
SCHEMBL15881999 0.82 ESRRA (0.56) CA1CA2CA9CA4CA12
SCHEMBL14692525 0.81 POLB (0.59) CA1CA2CA9CA4CA12
SCHEMBL2194020 0.81 SMN1; SMN2 (0.55) KDM4ECA1CA2CA9CA4
SCHEMBL2041625 0.80 CA1 (0.57) KDM4ENPC1CA1CA2CA9
SCHEMBL16245852 0.79 NPC1 (0.59) KDM4ENPC1CA1CA2CA9
SCHEMBL12442707 0.79 NPC1 (0.59) NPC1CA1CA2CA9CA4
SCHEMBL25332341 0.78 CA1 (0.54) KDM4ENPC1CA1CA2CA9
SCHEMBL20594850 0.77 NOTUM (0.56) CA1CA2CA9CA4CA12
SCHEMBL16245995 0.77 DDT (0.60) KDM4ECA1CA2CA9CA4

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 3613/4885CA1 867/4885

“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.