SCHEMBL3610657

SCHEMBL3610657

CCC(C(=O)O)N1N=C(c2ccc3c(c2)nc(-c2cccc(F)c2)n3C)CSC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
P2RX3 P56373 1/20 0.33
CDK9 P50750 1/20 0.33
BRD4 O60885 6/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAMPT P43490 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL3440843 0.84 HDAC1 (0.39) PTGER4HDAC1HDAC8HDAC6NPC1
SCHEMBL3617829 0.83 PTGER4 (0.37) PTGER4HDAC1HDAC8HDAC6NPC1
SCHEMBL3441232 0.82 HDAC1 (0.37) PTGER4HDAC1HDAC8HDAC6NPC1
SCHEMBL3440951 0.81 LMNA (0.54) HDAC1HDAC8HDAC6MAPTBRD4
SCHEMBL3440837 0.79 KCNH2 (0.40) PTGER4HDAC1HDAC8HDAC6NPC1
SCHEMBL3440877 0.77 KCNH2 (0.37) PTGER4CDK9BRD4LMNAHPGD
SCHEMBL3440875 0.77 HRH3 (0.35) NPC1RAB9ALMNA
SCHEMBL3604312 0.76 NLRP3 (0.41) PTGER4LMNAKDM4EHCRTR1HCRTR2
SCHEMBL3440974 0.76 MEN1 (0.44) MAPTLMNAHPGD
SCHEMBL3440855 0.75 NLRP3 (0.42) PTGER4LMNAHPGDKDM4EHCRTR1

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 2 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 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

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 PTGER4 2701/4885HDAC1 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.