SCHEMBL3174045

SCHEMBL3174045

COC(=O)c1cccnc1Oc1cccc(CO)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MAPK8 P45983 2/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.49
DRD1 P21728 1/20 0.48
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9485844 0.83 MAPK8 (0.47) TDP1MAPK8HPGDKMT2AALDH1A1
SCHEMBL9485849 0.83 MAPK8 (0.47) TDP1MAPK8HPGDKMT2AALDH1A1
SCHEMBL9485837 0.83 MAPK8 (0.47) TDP1MAPK8HPGDKMT2AALDH1A1
SCHEMBL20818012 0.81 TDP1 (1.00) TDP1MAPK8KMT2AALDH1A1MAPT
SCHEMBL9041828 0.81 KMT2A (0.46) TDP1MAPK8HPGDKMT2AALDH1A1
SCHEMBL5752212 0.80 TDP1 (0.67) TDP1MAPK8KMT2AALDH1A1DRD1
SCHEMBL9122123 0.79 TDP1 (0.66) TDP1KMT2AMAPT
SCHEMBL1009800 0.79 KMT2A (0.48) MAPK8HPGDKMT2ASMN1; SMN2
SCHEMBL7367341 0.78 TDP1 (0.61) TDP1MAPK8HPGDALDH1A1PKM
SCHEMBL10976046 0.77 TDP1 (0.67) TDP1MAPK8KMT2AALDH1A1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 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-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 TDP1 4318/4885MAPK8 2967/4885HPGD 450/4885

“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.