SCHEMBL5485038

SCHEMBL5485038

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
P2RX3 P56373 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NFE2L2 Q16236 2/20 0.33
CNR2 P34972 2/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
ABCB1 P08183 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL5489914 0.85 EPHX2 (0.39) EPHX2TXNRD1TXNRD3TXNRD2LMNA
SCHEMBL16791413 0.82 MAP2K4 (0.39) ALDH1A1L3MBTL1KDM4ENR1H4
SCHEMBL5476767 0.78 P2RX3 (0.40) P2RX3LMNAALDH1A1KDM4ECNR2
SCHEMBL5952647 0.76 MAP2K4 (0.37) ALDH1A1NR1H4
SCHEMBL5952029 0.76 PDE4B (0.40) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL5952909 0.76 IL1B (0.35) ALDH1A1KDM4ENR1H4
SCHEMBL5952907 0.76 IL1B (0.35) ALDH1A1KDM4ENR1H4
SCHEMBL5952034 0.76 PDE4B (0.40) TXNRD1TXNRD3TXNRD2ALDH1A1L3MBTL1
SCHEMBL5952641 0.76 MAP2K4 (0.37) ALDH1A1NR1H4
SCHEMBL2777480 0.71 ELANE (0.45) LMNAALDH1A1

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 3684/4885TXNRD1 4042/4885TXNRD3 2292/4885

“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.