SCHEMBL6332860

SCHEMBL6332860

COc1ccc(-c2sc(-c3ccc(SC(C)(C)C(=O)OC(=O)C(F)(F)F)cc3)nc2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ APP P05067 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL6327445 0.93 MAPT (0.44) MAPTKMT2AMEN1DGAT1RAB9A
SCHEMBL6328366 0.92 MAPT (0.41) MAPTDGAT1RAB9ANPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL6332856 0.91 DGAT1 (0.43) MAPTKMT2AMEN1HCRTR1APP
SCHEMBL6325796 0.84 MAPT (0.41) MAPTKMT2AMEN1HCRTR1DGAT1
SCHEMBL5727205 0.84 DGAT1 (0.46) MAPTKMT2AMEN1HCRTR1DGAT1
SCHEMBL6334769 0.83 DGAT1 (0.45) MAPTKMT2AMEN1HCRTR1DGAT1
SCHEMBL6333109 0.83 DGAT1 (0.49) MAPTKMT2AMEN1HCRTR1DGAT1
Trifluoroacetic Acid SCHEMBL6327439 0.83 NPC1 (0.46) MAPTKMT2AMEN1DGAT1CYP3A4
SCHEMBL6326588 0.82 DGAT1 (0.49) MAPTKMT2AMEN1HCRTR1DGAT1
SCHEMBL6325803 0.82 ADORA2A (0.42) MAPTDGAT1RAB9ANPC1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC MAPT 3022/4885KMT2A 1448/4885MEN1 3157/4885

“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.

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