SCHEMBL980584

SCHEMBL980584

O=C(Cc1ccc(OCCN2CCOCC2)cc1)N1CCC(c2ccc(Cl)s2)=N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 5/20 0.45
MET P08581 1/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.40
AURKB Q96GD4 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL980745 0.96 EPHX2 (0.51) EPHX2METALDH1A1MEN1KMT2A
SCHEMBL982339 0.90 MET (0.51) EPHX2METALDH1A1KDM4ETP53
SCHEMBL12922899 0.86 EPHX2 (0.47) EPHX2METALDH1A1
SCHEMBL979042 0.81 ALDH1A1 (0.55) GAASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL981944 0.81 PHGDH (0.44) SMN1; SMN2ALDH1A1TSHRMEN1MAPT
SCHEMBL984366 0.80 HRH3 (0.44) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL981256 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL982599 0.77 MEN1 (0.47) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL981946 0.77 MAOB (0.52) GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL979274 0.75 KMT2A (0.45) SMN1; SMN2METALDH1A1MEN1MAPT

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 GAA 2975/4885SMN1; SMN2 4245/4885EPHX2 3630/4885

“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.