SCHEMBL16832831

SCHEMBL16832831

COC(=O)c1cc(C(N)=O)nc2cc(OC)ccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 5/20 0.60
▸ GRM2 Q14416 5/20 0.54
▸ PLA2G2A P14555 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ PDE3B Q13370 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ TACR3 P29371 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ SLC2A2 P11168 1/20 0.45
▸ SLC2A3 P11169 1/20 0.45
▸ SLC2A4 P14672 1/20 0.45
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ GRM3 Q14832 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
SCHEMBL16832599 0.90 PLA2G2A (0.54) NQO2PLA2G2AKDM4EPDE3BTACR3
SCHEMBL16832328 0.89 PLA2G2A (0.64) NQO2GRM2PLA2G2AKDM4E
SCHEMBL16832378 0.88 GRM2 (0.58) GRM2KDM4EHPGDSTACR3
SCHEMBL16832387 0.84 NQO2 (0.60) NQO2GRM2PLA2G2ASLC2A1SLC2A2
SCHEMBL16832176 0.84 NQO2 (0.60) NQO2GRM2PLA2G2AKDM4E
SCHEMBL6605024 0.82 KDM4E (0.65) NQO2GRM2KDM4E
SCHEMBL16832843 0.79 PLA2G2A (0.69) NQO2PLA2G2AKDM4E
SCHEMBL18484084 0.78 GRM2 (0.54) GRM2KDM4EPDE3BHPGDSGRM8
SCHEMBL16832417 0.78 KDM4E (0.72) GRM2PLA2G2AKDM4E
SCHEMBL16832968 0.78 NQO2 (0.66) NQO2GRM2PLA2G2AKDM4ESLC2A1

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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 — — EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO 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 NQO2 338/4885GRM2 817/4885PLA2G2A 3923/4885

“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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