SCHEMBL984588

SCHEMBL984588

COc1ccccc1C1=NN(C(=O)Cc2cccs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
POLB P06746 3/20 0.54
TSHR P16473 1/20 0.54
GFER P55789 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 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
SCHEMBL983114 0.88 MEN1 (0.52) SMN1; SMN2POLBTSHRGFERALDH1A1
SCHEMBL984737 0.86 POLB (0.47) SMN1; SMN2POLBTSHRGFERALDH1A1
SCHEMBL981598 0.83 KDM4E (0.48) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL980134 0.80 ALDH1A1 (0.54) SMN1; SMN2POLBTSHRALDH1A1HSD17B10
SCHEMBL982142 0.80 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1HSD17B10KMT2AHPGD
SCHEMBL982034 0.79 ALDH1A1 (0.50) SMN1; SMN2POLBALDH1A1GAAHSD17B10
SCHEMBL981501 0.77 KMT2A (0.42) SMN1; SMN2POLBTSHRGFERALDH1A1
SCHEMBL982292 0.77 SIGMAR1 (0.47) SMN1; SMN2POLBALDH1A1GAAMEN1
SCHEMBL981784 0.77 ALDH1A1 (0.49) SMN1; SMN2POLBALDH1A1HSD17B10MEN1
SCHEMBL982164 0.75 KDM4E (0.48) SMN1; SMN2POLBALDH1A1HSD17B10MEN1

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
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
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 SMN1; SMN2 4245/4885POLB 3230/4885TSHR 553/4885

“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.