SCHEMBL18484084

SCHEMBL18484084

COc1ccc2c(C(O)O)cc(C(N)=O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 13/20 0.54
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ GRM3 Q14832 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MET P08581 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16832378 0.80 GRM2 (0.58) GRM2KDM4EHPGDSALDH1A1MAPT
SCHEMBL16832831 0.78 NQO2 (0.60) GRM2KDM4EHPGDSGRM8GRM6
SCHEMBL28749699 0.75 HPGDS (0.57) GRM2KDM4EHPGDSALDH1A1
SCHEMBL16168937 0.74 GRM2 (0.80) GRM2
SCHEMBL5717584 0.73 GRM2 (0.55) GRM2KDM4EHPGDSALDH1A1MAPT
SCHEMBL16832417 0.72 KDM4E (0.72) GRM2KDM4EALDH1A1MAPTNPSR1
SCHEMBL6004248 0.72 GRM2 (0.54) GRM2KDM4EHPGDSALDH1A1MAPT
SCHEMBL6827783 0.71 KDM4E (0.60) GRM2KDM4EHPGDSALDH1A1
SCHEMBL562343 0.70 BACE1 (0.47) GRM2KDM4EPDE3BALDH1A1MAPT
SCHEMBL8353954 0.70 PDE3B (0.60) KDM4EPDE3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 GRM2 817/4885KDM4E 3458/4885HPGDS 1465/4885

“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.

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