SCHEMBL6290249

SCHEMBL6290249

Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.50
HDAC1 Q13547 6/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
S1PR1 P21453 1/20 0.46
LTA4H P09960 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL6286718 0.92 HDAC1 (0.50) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6287825 0.92 HDAC1 (0.59) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6287018 0.90 ESR1 (0.48) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6285462 0.86 HDAC1 (0.65) HDAC8HDAC1HDAC3HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL6285408 0.85 HDAC1 (0.44) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6287571 0.84 HDAC1 (0.43) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6287220 0.83 ECE1 (0.57) HDAC8HDAC1HDAC3HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL6288051 0.83 HDAC1 (0.44) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6290828 0.82 CASP1 (0.51) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6287814 0.82 HDAC1 (0.50) HDAC8HDAC1HDAC3HDAC4HDAC7

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 3 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 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 HDAC8 4710/4885HDAC1 3488/4885HDAC3 3546/4885

“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.