SCHEMBL16833596

SCHEMBL16833596

COC(=O)c1cc(C(N)=O)nc2ccc(C)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.61
GRM2 Q14416 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G2A P14555 1/20 0.46
NR4A2 P43354 1/20 0.46
MITF O75030 1/20 0.45
KMT2A Q03164 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
SCHEMBL13919575 0.90 ALDH1A1 (0.52) NQO2L3MBTL1MAPTKDM4ETDP1
SCHEMBL28131200 0.89 L3MBTL1 (0.50) NQO2L3MBTL1MAPTKDM4ETDP1
SCHEMBL16833045 0.85 ALDH1A1 (0.58) NQO2GRM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL16832348 0.85 NQO2 (0.60) NQO2GRM2L3MBTL1KDM4EPLA2G2A
SCHEMBL16832328 0.85 PLA2G2A (0.64) NQO2GRM2L3MBTL1KDM4EALDH1A1
SCHEMBL16832418 0.85 NQO2 (0.60) NQO2GRM2L3MBTL1MAPTKDM4E
SCHEMBL16833047 0.85 L3MBTL1 (0.67) NQO2GRM2L3MBTL1KDM4EALDH1A1
SCHEMBL6605024 0.83 KDM4E (0.65) NQO2GRM2L3MBTL1MAPTKDM4E
SCHEMBL28100426 0.83 KDM4E (0.56) L3MBTL1MAPTKDM4ETDP1MAPK1
SCHEMBL16832968 0.79 NQO2 (0.66) NQO2GRM2L3MBTL1KDM4EPLA2G2A

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 817/4885L3MBTL1 4476/4885

“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.