SCHEMBL6769731

SCHEMBL6769731

CCOC(=O)c1cc(C)nn1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 7/20 0.54
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 2/20 0.51
STAT1 P42224 1/20 0.51
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE4D Q08499 1/20 0.50
CA9 Q16790 1/20 0.50
FAAH O00519 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6422295 0.92 KMT2A (0.65) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL1877271 0.85 SMN1; SMN2 (0.52) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL8511661 0.84 KMT2A (0.60) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL14217732 0.84 PDE4D (0.60) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL7373266 0.84 SMN1; SMN2 (0.51) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL5344577 0.84 MAPT (0.53) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL22886576 0.84 KDM4E (0.57) LMNAKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL20028510 0.83 MAPT (0.56) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL6764400 0.83 KDM4E (0.57) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL1873573 0.83 PDE4D (0.61) LMNAKMT2AALDH1A1POLBL3MBTL1

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 LMNA 527/4885KMT2A 4495/4885ALDH1A1 4324/4885

“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.