SCHEMBL980582

SCHEMBL980582

CC(Oc1ccc(CC(=O)N2CCC(c3ccc(Cl)s3)=N2)cc1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
MET P08581 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
FKBP1A P62942 1/20 0.33

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
SCHEMBL979042 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL980584 0.82 GAA (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL980745 0.81 EPHX2 (0.51) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL980088 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL981944 0.81 PHGDH (0.44) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL981256 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL981878 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL981945 0.78 MAOB (0.53) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL982599 0.77 MEN1 (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL981423 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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 8 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
EP-1917248-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 EP disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 WO 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 ALDH1A1 399/4885KMT2A 174/4885MEN1 221/4885

“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.