SCHEMBL6769718

SCHEMBL6769718

CCOC(=O)c1cc(C)n(-c2ccc3cc(OC)ccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
CA9 Q16790 3/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL1877549 0.90 TP53 (0.63) PDE4DTP53POLBKDM4EALDH1A1
SCHEMBL1740575 0.88 KDM4E (0.57) TP53POLBKDM4EALDH1A1NPC1
SCHEMBL6765894 0.81 SMN1; SMN2 (0.55) PDE4DPOLBKDM4EALDH1A1HPGD
SCHEMBL7231829 0.80 TP53 (0.49) PDE4DTP53POLBKDM4EALDH1A1
SCHEMBL7237443 0.80 POLB (0.53) PDE4DTP53POLBKDM4EALDH1A1
SCHEMBL9054421 0.79 CA9 (0.65) PDE4DTP53CA9FAAH
SCHEMBL6172014 0.79 TP53 (0.59) PDE4DTP53POLBALDH1A1HTT
SCHEMBL18017546 0.79 KMT2A (0.57) TP53POLBKDM4EALDH1A1NPC1
SCHEMBL20680840 0.79 MAOA (0.46) KMT2ACA9MAPTGAA
SCHEMBL30534855 0.79 MAOA (0.46) KMT2ACA9MAPTGAA

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 7 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-6720317-B1 1-NAPHTH-2-YL-1H-PYRAZOLE-5-(4-AMIDINOPHENYL)CARBOXYAMIDE, MULTIPLY SUBSTITUTED; NON AMIDINO ANTICOAGULANTS; HEMOSTATIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-6686368-B1 Inhibitors of factor Xa MILLENNIUM PAHRMACEUTICALS, INC. 2004-02-03 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
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 WO 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 PDE4D 1674/4885TP53 3836/4885POLB 2852/4885

“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.