SCHEMBL6290280

SCHEMBL6290280

COc1ccc2[nH]c(C)c(CC(=O)N[C@H](CCCN)C(=O)Nc3ccc(C(OC(=O)C(F)(F)F)(c4ccc(NC(=O)[C@@H](CCCN)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@@H](CCCN)NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.60
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
AKR1C2 P52895 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL6290276 0.86 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL6288066 0.82 AKR1C2 (0.46) HDAC1AKR1C2
SCHEMBL6291017 0.82 AKR1C2 (0.47) HDAC1AKR1C2
Hydrochloric Acid SCHEMBL6282704 0.82 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC2HDAC6
Hydrochloric Acid SCHEMBL7039783 0.82 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL6288063 0.82 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC2HDAC6
Hydrochloric Acid SCHEMBL6286790 0.78 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL6291013 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC2HDAC6
Hydrochloric Acid SCHEMBL6290244 0.78 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL6287501 0.78 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 3488/4885HDAC3 3546/4885HDAC4 4652/4885

“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.