SCHEMBL3440930

SCHEMBL3440930

CCCCNC(=O)NCCCN1N=C(c2ccc3c(c2)nc(-c2ccco2)n3C)CSC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.43
ALDH1A1 P00352 8/20 0.41
HPGD P15428 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
BLM P54132 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MCL1 Q07820 2/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.39
GLA P06280 2/20 0.39

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
SCHEMBL3441062 0.98 PTPN7 (0.42) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3440957 0.91 RAB9A (0.39) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3440845 0.91 PTPN7 (0.40) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3440832 0.88 ALDH1A1 (0.43) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3619958 0.88 PTPN7 (0.41) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3617822 0.88 KMT2A (0.40) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3441263 0.87 RAB9A (0.41) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL3440967 0.87 PTPN7 (0.40) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3440840 0.87 CCR3 (0.43) PTPN7ALDH1A1HPGDKDM4EMAPT
SCHEMBL3440989 0.87 BRD4 (0.42) PTPN7ALDH1A1HPGDKDM4EMAPT

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
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US claimed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US claimed
EP-2058308-A1 Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. Merck Sante (FR) 2009-05-13 EP claimed
US-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 US disclosed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 US disclosed
EP-2229385-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2010-09-22 EP disclosed
WO-2009062576-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-05-22 WO disclosed
EP-2058308-A1 Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. Merck Sante (FR) 2009-05-13 EP 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-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FBP1, ALDOA, GCK PTPN7 3208/4885ALDH1A1 234/4885HPGD 429/4885

“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.