SCHEMBL3440862

SCHEMBL3440862

Cn1c(-c2cccc(C(F)(F)F)c2)nc2cc(C3=NN(CCNC(=O)c4ccccc4)C(=O)SC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
EGFR P00533 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36
MCHR1 Q99705 1/20 0.36
PTGER4 P35408 2/20 0.36
ORAI1 Q96D31 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3440933 0.91 KIT (0.43) KITHDAC1HDAC8HDAC6RXFP1
SCHEMBL3441317 0.90 KIT (0.42) KITHDAC1HDAC8HDAC6POLB
SCHEMBL3440979 0.89 KIT (0.42) KITBRD4MCHR1
SCHEMBL3440944 0.89 KIT (0.41) KITHDAC1HDAC8HDAC6EGFR
SCHEMBL11956290 0.88 KIT (0.45) KITHDAC1HDAC8HDAC6LMNA
SCHEMBL3441029 0.85 KIT (0.41) KITHDAC1HDAC8HDAC6LMNA
SCHEMBL3440889 0.85 KIT (0.43) KITLMNAALDH1A1MCHR1PTGER4
SCHEMBL3440927 0.84 LMNA (0.52) KITPOLBLMNAALDH1A1ORAI1
SCHEMBL3440886 0.84 KIT (0.44) KITLMNAALDH1A1
SCHEMBL3440922 0.84 KIT (0.44) KITLMNAALDH1A1MCHR1

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 KIT 3120/4885HDAC1 243/4885HDAC8 450/4885

“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.