Sugi Predict

Sugi Predict / Compounds / SCHEMBL3603333

SCHEMBL3603333

SCHEMBL3603333

CC(C)C(=O)NCCN1N=C(c2ccc3c(c2)nc(-c2cccc(F)c2)n3C)C(C)SC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.39
▸ RECQL P46063 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ PTGES O14684 1/20 0.33

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
SCHEMBL3440905 0.92 HDAC1 (0.36) BRD4HDAC1HDAC8HDAC6NPC1
SCHEMBL3440895 0.89 HDAC1 (0.41) BRD4LMNASMN1; SMN2HDAC1HDAC8
SCHEMBL3440846 0.89 HDAC6 (0.39) BRD4LMNAHDAC1HDAC8HDAC6
SCHEMBL3440891 0.89 RAB9A (0.46) BRD4SMN1; SMN2HDAC6KMT2ANPC1
SCHEMBL3617102 0.89 BRD4 (0.47) BRD4HDAC1HDAC8HDAC6NPC1
SCHEMBL3440985 0.89 BRD4 (0.35) BRD4HDAC1HDAC8HDAC6NPC1
SCHEMBL3447781 0.88 LMNA (0.40) BRD4LMNAHDAC1HDAC8HDAC6
SCHEMBL3440942 0.86 NAMPT (0.41) BRD4SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3440969 0.86 TGFBR1 (0.35) HDAC1HDAC8HDAC6HTTNPC1
SCHEMBL3440866 0.85 RAB9A (0.41) BRD4LMNASMN1; SMN2HDAC1HDAC8

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 4 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
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 BRD4 411/4885RECQL 2382/4885LMNA 4631/4885

“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.