SCHEMBL2952653

SCHEMBL2952653

CC(C)(C)OC(=O)NC1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
USP30 Q70CQ3 3/20 0.50
PARP1 P09874 2/20 0.44
CYP2C9 P11712 1/20 0.44
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1L1 Q9UHC9 2/20 0.43
BRD4 O60885 1/20 0.42
DRD2 P14416 2/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
PADI4 Q9UM07 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL29860886 1.00 CA1 (0.52) CA1CA2USP30PARP1CYP2C9
SCHEMBL29123195 1.00 CA1 (0.52) CA1CA2USP30PARP1CYP2C9
SCHEMBL3489490 0.94 HSD11B1 (0.50) CA1CA2USP30PARP1CYP2C9
SCHEMBL6010052 0.93 USP30 (0.54) CA1CA2USP30PARP1BRD4
SCHEMBL14428332 0.88 KMT2A (0.44) CYP2C9HSD11B1KMT2AL3MBTL1DRD2
SCHEMBL6225501 0.87 USP30 (0.40) CA1CA2USP30KMT2AL3MBTL1
SCHEMBL30349744 0.87 USP30 (0.52) USP30PARP1CYP2C9HSD11B1KMT2A
SCHEMBL31370450 0.84 MDM2 (0.49) CA1CA2USP30NPC1L1
SCHEMBL31370154 0.84 MDM2 (0.49) CA1CA2USP30NPC1L1
SCHEMBL6229850 0.83 CTSK (0.43) KMT2AL3MBTL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 CA1 371/4885CA2 827/4885USP30 1912/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 CA1 119/4885CA2 168/4885USP30 3200/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 CA1 2998/4885CA2 333/4885USP30 3408/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 CA1 70/4885CA2 76/4885USP30 3601/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CA1 70/4885CA2 76/4885USP30 3601/4885

“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.