SCHEMBL6287798

SCHEMBL6287798

NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C(OC(=O)C(F)(F)F)(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3ccccc3)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.48
MEF2D Q14814 2/20 0.48
PLG P00747 1/20 0.48
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
CTSB P07858 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
KLKB1 P03952 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
PADI1 Q9ULC6 3/20 0.41
PADI4 Q9UM07 3/20 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
SCHEMBL6290920 1.00 HDAC4 (0.48) HDAC4MEF2DPLGHDAC1HDAC3
SCHEMBL6288024 0.88 LTA4H (0.46) HDAC4MEF2DPLGHDAC1HDAC3
SCHEMBL6286285 0.88 LTA4H (0.46) HDAC4MEF2DPLGHDAC1HDAC3
Trifluoroacetic Acid SCHEMBL6290915 0.83 HDAC4 (0.50) HDAC4MEF2DPLGHDAC1HDAC3
Trifluoroacetic Acid SCHEMBL6287789 0.83 HDAC4 (0.50) HDAC4MEF2DPLGHDAC1HDAC3
SCHEMBL6286266 0.80 KLKB1 (0.37) HDAC4MEF2DPLGKLKB1CA1
SCHEMBL6290843 0.79 LMNA (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6287930 0.77 LMNA (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4894982 0.76 PDF (0.62) HDAC4MEF2DPLGHDAC1HDAC3
SCHEMBL10440716 0.76 PDF (0.62) HDAC4MEF2DPLGHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US claimed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US claimed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP claimed
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 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 (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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK HDAC4 4652/4885MEF2D 2563/4885PLG 718/4885

“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.