SCHEMBL979286

SCHEMBL979286

COc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
RAB9A P51151 3/20 0.71
HPGD P15428 3/20 0.71
MAOB P27338 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
GPR183 P32249 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL980150 0.94 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL980185 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL982366 0.88 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL982974 0.88 RAB9A (0.58) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL980195 0.88 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL984580 0.87 MAOB (0.58) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL984394 0.87 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL981651 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AHPGDPOLB
SCHEMBL981227 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB
SCHEMBL980240 0.86 MAOB (0.53) ALDH1A1SMN1; SMN2RAB9AHPGDMAOB

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 10 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-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
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 399/4885SMN1; SMN2 4245/4885RAB9A 2347/4885

“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.