SCHEMBL981946

SCHEMBL981946

COc1ccc(C2=NN(C(=O)Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
PDE4D Q08499 1/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
CFTR P13569 1/20 0.51
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
ABCB1 P08183 1/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ADORA2A P29274 2/20 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
SCHEMBL12922897 0.96 MAOB (0.51) MAOBPDE4DPRKAB2PRKAG1PRKAA2
SCHEMBL981326 0.84 MAOB (0.65) MAOBPDE4DHTTSMN1; SMN2ALDH1A1
SCHEMBL981945 0.83 MAOB (0.53) MAOBPDE4DHTTSMN1; SMN2ALDH1A1
SCHEMBL979185 0.82 HTT (0.55) MAOBPDE4DCFTRHTTSMN1; SMN2
SCHEMBL979299 0.80 MAOB (0.65) MAOBPDE4DHTTSMN1; SMN2ALDH1A1
SCHEMBL981491 0.79 MAOB (0.64) MAOBPDE4DHTTSMN1; SMN2ALDH1A1
SCHEMBL979373 0.79 MAOB (0.67) MAOBPDE4DSMN1; SMN2ALDH1A1RAB9A
SCHEMBL14338788 0.78 ALDH1A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL980584 0.77 GAA (0.45) SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL15086722 0.76 MAOB (0.65) MAOBPDE4DSMN1; SMN2ALDH1A1RAB9A

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-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MAOB 1138/4885PDE4D 2444/4885PRKAB2 674/4885

“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.