SCHEMBL979185

SCHEMBL979185

COc1ccc(C2=NN(C(=O)Cc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MAOB P27338 1/20 0.55
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.50
PDE4D Q08499 1/20 0.49
GLA P06280 1/20 0.47
CFTR P13569 1/20 0.46
PRKCZ Q05513 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14609903 0.92 HTT (0.48) HTTMAOBMAPTHPGDPKM
SCHEMBL981326 0.83 MAOB (0.65) HTTMAOBMAPTHPGDNPC1
SCHEMBL979299 0.83 MAOB (0.65) HTTMAOBHPGDKMT2APDE4D
SCHEMBL981945 0.83 MAOB (0.53) HTTMAOBMAPTHPGDPKM
SCHEMBL981491 0.82 MAOB (0.64) HTTMAOBMAPTHPGDPOLB
SCHEMBL981946 0.82 MAOB (0.52) HTTMAOBHPGDNPC1PDE4D
SCHEMBL979373 0.82 MAOB (0.67) MAOBHPGDPKMKMT2ANPC1
SCHEMBL12922897 0.81 MAOB (0.51) HTTMAOBPDE4DCFTR
SCHEMBL3324143 0.79 MAOB (0.57) HTTMAOBHPGDKMT2ANPC1
SCHEMBL980474 0.78 MAOB (0.58) HTTMAOBHPGDPKMKMT2A

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 11 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
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-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-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
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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 HTT 3262/4885MAOB 1138/4885MAPT 4012/4885

“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.