SCHEMBL981945

SCHEMBL981945

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
GFER P55789 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4B Q07343 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 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
SCHEMBL981326 0.85 MAOB (0.65) MAOBHTTPDE4DSMN1; SMN2ALDH1A1
SCHEMBL981946 0.83 MAOB (0.52) MAOBHTTPDE4DSMN1; SMN2ALDH1A1
SCHEMBL979185 0.83 HTT (0.55) MAOBHTTPDE4DSMN1; SMN2HPGD
SCHEMBL12922897 0.83 MAOB (0.51) MAOBHTTPDE4D
SCHEMBL979299 0.81 MAOB (0.65) MAOBHTTPDE4DSMN1; SMN2ALDH1A1
SCHEMBL981491 0.80 MAOB (0.64) MAOBHTTPDE4DSMN1; SMN2ALDH1A1
SCHEMBL979373 0.80 MAOB (0.67) MAOBPDE4DSMN1; SMN2ALDH1A1HPGD
SCHEMBL980582 0.78 ALDH1A1 (0.39) HTTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL980757 0.77 MAOB (0.61) MAOBPDE4DSMN1; SMN2ALDH1A1HPGD
SCHEMBL982228 0.77 ALDH1A1 (0.61) MAOBSMN1; SMN2ALDH1A1HPGDRAB9A

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 1138/4885HTT 3262/4885PDE4D 2444/4885

“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.