SCHEMBL4367416

SCHEMBL4367416

CN(Nc1ccc2ccccc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
RAB9A P51151 11/20 0.42
NPC1 O15118 10/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 3/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KAT6A Q92794 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL28699685 0.82 AKT1 (0.38) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL4367428 0.79 AKT1 (0.48) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4111737 0.79 RAB9A (0.53) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4364565 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL4370578 0.78 FADS1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3403454 0.76 KAT6A (0.60) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL30216106 0.76 KAT6A (0.60) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL12219523 0.75 INSR (0.45) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL31453143 0.75 PAX8 (0.51) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4631164 0.74 GAA (0.52) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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 9 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
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
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
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 ALDH1A1 105/4885MEN1 2676/4885KMT2A 3441/4885

“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.