SCHEMBL5489914

SCHEMBL5489914

COC(=O)/C=C/c1nn(C(=O)O)c2c(OC)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
FDPS P14324 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 2/20 0.36
SRC P12931 1/20 0.36
NFE2L2 Q16236 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NTRK1 P04629 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35

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
SCHEMBL5485038 0.85 EPHX2 (0.35) EPHX2L3MBTL1FDPSLMNANFE2L2
SCHEMBL28932397 0.75 L3MBTL1 (0.38) L3MBTL1NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL28932398 0.75 L3MBTL1 (0.38) L3MBTL1NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL5486761 0.75 CYP19A1 (0.42) L3MBTL1LMNAEGFRSRCALDH1A1
SCHEMBL6776970 0.69 ABCG2 (0.67) EPHX2FDPSNFE2L2ALDH1A1MAPT
SCHEMBL6776974 0.69 ABCG2 (0.67) EPHX2FDPSNFE2L2ALDH1A1MAPT
SCHEMBL7954649 0.69 ABCG2 (0.67) EPHX2FDPSNFE2L2ALDH1A1MAPT
SCHEMBL670542 0.68 GAA (0.41) L3MBTL1ALDH1A1MAPTCA12CA1
SCHEMBL16791413 0.68 MAP2K4 (0.39) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL1397474 0.65 NFE2L2 (0.75) LMNANFE2L2ALDH1A1MAPTKDM4E

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-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 EPHX2 3684/4885L3MBTL1 2928/4885FDPS 4448/4885

“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.