SCHEMBL3318044

SCHEMBL3318044

COC(=O)c1nc(OC)sc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
ALDH1A1 P00352 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
GAA P10253 1/20 0.59
PKM P14618 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
GRM6 O15303 1/20 0.50
GRM5 P41594 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
RCE1 Q9Y256 1/20 0.45
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL13398512 0.88 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20781049 0.86 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2189914 0.85 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496791 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL980858 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9587190 0.82 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496802 0.82 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL20780903 0.81 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4870668 0.78 GAA (0.65) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL925007 0.77 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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-4298375-A REDUCTION OF HERBICIDAL INJURY TO SORGHUM PLANTS MONSANTO COMPANY (US) 1981-11-03 US claimed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
US-4298375-A REDUCTION OF HERBICIDAL INJURY TO SORGHUM PLANTS MONSANTO COMPANY (US) 1981-11-03 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 (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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 KDM4E 1245/4885ALDH1A1 2006/4885SMN1; SMN2 4664/4885

“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.