SCHEMBL13624676

SCHEMBL13624676

C/C=N/Nc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL28118959 1.00 KEAP1 (0.46) KEAP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL11433940 0.78 NOX1 (0.53) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL3842734 0.74 KDM4E (0.52) KEAP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL9055550 0.74 ALDH1A1 (0.50) KEAP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL1342156 0.74 ALDH1A1 (0.50) KEAP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL19559633 0.74 MAPT (0.56) ALDH1A1HPGDTSHRALOX15KDM4E
SCHEMBL11433264 0.73 MAPT (0.54) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL13875564 0.73 MAPT (0.57) ALDH1A1HPGDCYP3A4KDM4EGAA
SCHEMBL1755252 0.70 KEAP1 (0.43) KEAP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL7483801 0.70 ALDH1A1 (0.56) KEAP1ALDH1A1HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 KEAP1 1490/4885ALDH1A1 105/4885HPGD 68/4885

“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.