SCHEMBL1649142

SCHEMBL1649142

COC(=O)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 13/20 0.73
TOP1 P11387 1/20 0.73
CYP2C9 P11712 1/20 0.69
CRHBP P24387 1/20 0.69
CASP7 P55210 1/20 0.69
CASP6 P55212 1/20 0.69
CRHR2 Q13324 1/20 0.69
HIF1A Q16665 1/20 0.69
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
RECQL P46063 1/20 0.61
GALK1 P51570 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL4960881 0.90 NQO1 (0.60) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL4385323 0.85 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL1649097 0.85 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL14172071 0.84 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL16896239 0.83 NQO1 (0.50) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL4390609 0.82 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7899682 0.82 NQO1 (0.86) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL14172083 0.82 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7896856 0.81 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7904504 0.81 NQO1 (0.79) NQO1TOP1CYP2C9CRHBPCASP7

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
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 US disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 EP disclosed
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 EP disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 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 (2 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 NQO1 390/4885TOP1 1887/4885CYP2C9 553/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885TOP1 1887/4885CYP2C9 553/4885

“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.