SCHEMBL4628233

SCHEMBL4628233

COc1cccc(CC(=O)N2CCC(c3cc(OC)ccc3OC)=N2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAOB P27338 2/20 0.43
PARP1 P09874 1/20 0.43
ORAI1 Q96D31 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL980436 0.93 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982292 0.92 SIGMAR1 (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982146 0.92 ALDH1A1 (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL981528 0.90 ALDH1A1 (0.54) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL980061 0.86 KMT2A (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL980757 0.86 MAOB (0.61) ALDH1A1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL980185 0.86 ALDH1A1 (0.67) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL980361 0.85 ALDH1A1 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL982975 0.84 MAOB (0.60) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL982112 0.84 CCKAR (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT

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
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
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
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 399/4885HPGD 2204/4885RAB9A 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.