SCHEMBL3441260

SCHEMBL3441260

Cc1ccc(C(=O)NCCN2N=C(c3ccc4c(c3)nc(-c3ccco3)n4C)CSC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 5/20 0.38
MCL1 Q07820 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
BLM P54132 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3441014 0.95 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440832 0.91 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3441263 0.90 RAB9A (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440827 0.90 NAMPT (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440871 0.90 GAA (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440868 0.89 RAB9A (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440836 0.88 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440957 0.88 RAB9A (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3440989 0.86 BRD4 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3441062 0.86 PTPN7 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1

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
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-2229385-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2010-09-22 EP claimed
WO-2009062576-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-05-22 WO 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 MEN1 3051/4885KMT2A 2949/4885NPC1 2824/4885

“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.