SCHEMBL6287655

SCHEMBL6287655

O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 2/20 0.47
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.46

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
SCHEMBL6288043 0.91 HDAC8 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6287685 0.90 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6287783 0.90 HDAC8 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6290992 0.89 HDAC8 (0.54) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7038483 0.87 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6287965 0.86 MAPT (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6284142 0.85 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6288076 0.85 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL6290374 0.85 SMN1; SMN2 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6287532 0.85 S1PR1 (0.54) HDAC1HDAC8HDAC3HDAC4HDAC7

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 HDAC1 3488/4885HDAC8 4710/4885HDAC3 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.