SCHEMBL4376014

SCHEMBL4376014

CCOC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL408172 0.81 NPSR1 (0.60) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL18617480 0.79 DGAT1 (0.59) TSHRKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL22405736 0.79 KDM4E (0.36) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL965934 0.78 GAA (0.60) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL5360124 0.78 NPC1 (0.50) KDM4EHPGDHSD17B10NPSR1NPC1
SCHEMBL24112327 0.77 ALDH1A1 (0.34) TSHRKDM4EALDH1A1MAPTMEN1
SCHEMBL407653 0.77 DGAT1 (0.49) TSHRKDM4ENPSR1GAAMAPK1
SCHEMBL16691194 0.76 DGAT1 (0.55) KDM4ENPSR1MAPK1NPC1ALDH1A1
SCHEMBL19716281 0.76 NPC1 (0.48) KDM4EHPGDHSD17B10NPSR1NPC1
SCHEMBL2089325 0.76 KDM4E (0.50) TSHRKDM4EHPGDHSD17B10CASP1

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 12 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
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO 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
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 TSHR 2784/4885KDM4E 2819/4885HPGD 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.