SCHEMBL6608296

SCHEMBL6608296

COc1ccc(-c2nnn[nH]2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.45
KDM4E B2RXH2 6/20 0.42
MAPT P10636 3/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MPI P34949 1/20 0.39
GFER P55789 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
GUSB P08236 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL6789801 0.87 DHFR (0.44) KDM4EHSD17B10ALDH1A1GAAMPI
SCHEMBL187940 0.87 ALDH1A1 (0.54) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL705661 0.83 MAPT (0.49) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL3044550 0.83 HSD17B10 (0.47) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL10765716 0.83 KDM4E (0.40) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL20329240 0.81 KDM4E (0.39) GRK6KDM4EMAPTPDGFRBPDGFRA
SCHEMBL21071909 0.81 PTGS2 (0.39) GRK6KDM4EMAPTPDGFRBPDGFRA
SCHEMBL5822962 0.81 NOTUM (0.41) MAPTALDH1A1NPC1RAB9A
SCHEMBL1250505 0.79 NOX1 (0.49) MAPTGAAGFERALOX5PTGS2
SCHEMBL8326642 0.79 LMNA (0.47) KDM4EHSD17B10ALDH1A1TDP1LMNA

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-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides BAYER CROPSCIENCE AG (DE) 2004-08-12 US disclosed
EP-1389191-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
WO-2002092581-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2002-11-21 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-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides DDT, CYP4X1, PAH GRK6 2769/4885KDM4E 38/4885MAPT 3064/4885

“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.