SCHEMBL3547725

SCHEMBL3547725

[c]1ncccc1N1CCSCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 2/20 0.33
LGMN Q99538 1/20 0.33
MAPT P10636 1/20 0.32
PIK3CA P42336 1/20 0.32
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2067060 0.82 CHKA (0.34) ALDH1A1HSD17B10MAPT
SCHEMBL185803 0.81 HPGD (0.39) L3MBTL1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL526372 0.78 PLD1 (0.44) ALDH1A1HSD17B10
SCHEMBL994898 0.75 L3MBTL3 (0.37) ALDH1A1
SCHEMBL14931430 0.74 PDE10A (0.36) ALDH1A1HSD17B10PIK3CAHIF1A
SCHEMBL15416152 0.71
SCHEMBL12468806 0.71 OGA (0.38) PIK3CA
SCHEMBL14931331 0.70 PDE10A (0.32)
SCHEMBL22530034 0.70 HRH4 (0.33) ALOX15
SCHEMBL6167333 0.70 CYP2A13 (0.42) L3MBTL1RAB9AALDH1A1

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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
CN-109195968-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-11 CN disclosed
CN-109219609-B Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-01 CN disclosed
CN-109219608-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-12-21 CN disclosed
CN-109195969-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-12-21 CN disclosed
EP-3436456-B1 FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-11-17 EP disclosed
EP-3436460-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-08-18 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO 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 (4 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 AR 1686/4885L3MBTL1 1959/4885RAB9A 2923/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 AR 1376/4885L3MBTL1 1295/4885RAB9A 1914/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 AR 1721/4885L3MBTL1 2007/4885RAB9A 2977/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A AR 3538/4885L3MBTL1 3573/4885RAB9A 1534/4885

“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.