SCHEMBL984366

SCHEMBL984366

CCN(CC)CCCOc1ccc(CC(=O)N2CCC(c3ccc(Cl)s3)=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
AGER Q15109 3/20 0.38

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
SCHEMBL12922898 0.91 HRH3 (0.43) HRH3ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL980088 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL979042 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL980745 0.81 EPHX2 (0.51) HRH3ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12922896 0.81 ACHE (0.38) HRH3ACHE
SCHEMBL980584 0.80 GAA (0.45) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL981256 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL982599 0.77 MEN1 (0.47) ALDH1A1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL981878 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL981423 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1MAPT

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 HRH3 97/4885ALDH1A1 399/4885SMN1; SMN2 4245/4885

“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.