SCHEMBL4811807

SCHEMBL4811807

CC(C)(C)OC(=O)NNCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP1A2 P05177 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ CYSLTR1 Q9Y271 4/20 0.44
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ KDM4A O75164 1/20 0.41
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ALOX5 P09917 1/20 0.41

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
SCHEMBL12561165 0.86 HDAC1 (0.52) MEN1NPC1GAARAB9AKMT2A
SCHEMBL21744309 0.82 BCHE (0.47) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL30069410 0.82 BCHE (0.47) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL8843570 0.80 CYP1A2 (0.51) GAACYP1A2HDAC1HDAC2CYSLTR1
SCHEMBL8190552 0.77 NPC1 (0.60) MEN1NPC1GAARAB9AKMT2A
SCHEMBL19407482 0.77 GABRB1 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29858176 0.77 GABRB1 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL28824776 0.77 GABRB1 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL31338418 0.76 GAA (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL13903535 0.76 CTSB (0.51) MEN1NPC1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 — — US disclosed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 — — US disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 — — US disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 — — 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 (2 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-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 MEN1 3229/4885NPC1 2625/4885GAA 282/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MEN1 3245/4885NPC1 2665/4885GAA 286/4885

“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.

Send feedback