SCHEMBL3364138

SCHEMBL3364138

O=c1oc2ccc(Cl)cc2c(O)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.71
MAOA P21397 1/20 0.61
MGAM O43451 6/20 0.60
MAOB P27338 3/20 0.53
ALDH1A1 P00352 2/20 0.50
MKNK2 Q9HBH9 1/20 0.50
TTR P02766 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADCY1 Q08828 1/20 0.47
AHR P35869 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47

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
SCHEMBL3912373 0.84 NQO1 (0.65) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL11568363 0.82 NQO1 (0.61) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL29953437 0.82 NQO1 (0.61) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL8493787 0.81 PDE2A (0.56) NQO1MAOAMGAMKDM4EMEN1
SCHEMBL14170077 0.80 NQO1 (0.78) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL6190126 0.79 NQO1 (0.58) NQO1MAOAMGAMMAOBPOLB
SCHEMBL3275885 0.79 NQO1 (0.76) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL14169888 0.79 MGAM (0.65) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL14170081 0.78 MGAM (0.64) NQO1MAOAMGAMMAOBALDH1A1
SCHEMBL11846218 0.78 NQO1 (0.57) NQO1MAOAMGAMMAOBPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845121-A Aci-reductone compounds belonging to the 6,7-disubstituted-3,4-dihydro benzopyan-2H-one class having antiaggregatory properties THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1989-07-04 US claimed
US-20110021621-A1 Drug for treating circulatory insufficiency ACTIVUS PHARMA CO., LTD. (JP) 2011-01-27 US disclosed
US-20110021621-A1 Drug for treating circulatory insufficiency ACTIVUS PHARMA CO., LTD. (JP) 2011-01-27 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20090099256-A1 Drug for Treating Circulatory Insufficiency ACTIVUS PHARMA CO., LTD. (JP) 2009-04-16 US disclosed
US-20090099256-A1 Drug for Treating Circulatory Insufficiency ACTIVUS PHARMA CO., LTD. (JP) 2009-04-16 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-5028720-A 6,7-nonsubstituted and 6,7-disubstituted-3,4-dihydroxy benzopyran-2H-one compounds having antiaggregatory properties and processes for their preparation OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1991-07-02 US disclosed
US-4845121-A Aci-reductone compounds belonging to the 6,7-disubstituted-3,4-dihydro benzopyan-2H-one class having antiaggregatory properties THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1989-07-04 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 (4 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A NQO1 4048/4885MAOA 32/4885MGAM 4772/4885
US-20110021621-A1 Drug for treating circulatory insufficiency NPR1, TNNI3, NPR3 NQO1 1027/4885MAOA 2470/4885MGAM 2937/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 NQO1 721/4885MAOA 1703/4885MGAM 2941/4885
US-20090099256-A1 Drug for Treating Circulatory Insufficiency NPR1, TNNI3, NPR3 NQO1 1027/4885MAOA 2470/4885MGAM 2937/4885

“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.