SCHEMBL5848529

SCHEMBL5848529

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.42
TAOK3 Q9H2K8 2/20 0.42
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCOLN2 Q8IZK6 1/20 0.39
MCOLN1 Q9GZU1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
ACE P12821 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
SCHEMBL5850540 1.00 TAOK1 (0.42) TAOK1TAOK3CTSKCTSLCTSS
SCHEMBL5848654 0.85 CTSL (0.52) TAOK1TAOK3CTSKCTSLCTSS
SCHEMBL5848493 0.84 TAOK1 (0.43) TAOK1TAOK3CTSKHDAC1HDAC6
SCHEMBL5848731 0.84 TAOK1 (0.43) TAOK1TAOK3CTSKHDAC1HDAC6
SCHEMBL5850513 0.84 TAOK1 (0.43) TAOK1TAOK3CTSKHDAC1HDAC6
SCHEMBL5848743 0.84 TAOK1 (0.43) TAOK1TAOK3CTSKHDAC1HDAC6
SCHEMBL6867039 0.84 TAOK1 (0.43) TAOK1TAOK3CTSKHDAC1HDAC6
SCHEMBL5848330 0.83 CAPN1 (0.43) TAOK1TAOK3CTSKCTSLCTSS
SCHEMBL5850300 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1CHRM2CHRM4
SCHEMBL5848673 0.82 CTSK (0.38) TAOK1TAOK3CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 (2 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 TAOK1 2279/4885TAOK3 3114/4885CTSK 344/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS TAOK1 2998/4885TAOK3 3171/4885CTSK 161/4885

“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.