SCHEMBL6290397

SCHEMBL6290397

COc1ccc2[nH]c(C)c(CC(=O)N[C@@](C)(C(=O)Nc3ccc(C(OC(=O)C(F)(F)F)(c4ccc(NC(=O)[C@](C)(NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)c5ccccn5)cc4)c4ccc(NC(=O)[C@](C)(NC(=O)Cc5c(C)[nH]c6ccc(OC)cc56)c5ccccn5)cc4)cc3)c3ccccn3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.43
AKR1C2 P52895 1/20 0.42
NTRK1 P04629 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6356129 0.90 KLK6 (0.41) HDAC1NTRK1HDAC3HDAC2HDAC4
SCHEMBL6290998 0.89 AKR1C2 (0.44) HDAC1AKR1C2NTRK1HDAC3HDAC2
SCHEMBL6291017 0.85 AKR1C2 (0.47) HDAC1AKR1C2NTRK1MEN1MAPT
SCHEMBL6288066 0.84 AKR1C2 (0.46) HDAC1AKR1C2NTRK1MEN1MAPT
SCHEMBL6288054 0.81 KLK6 (0.43) HDAC1NTRK1HDAC3HDAC2HDAC4
SCHEMBL6287905 0.78 ANO1 (0.45) HDAC1MEN1MAPTKMT2AHTT
SCHEMBL6290560 0.76 KLK6 (0.42) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL6290280 0.76 HDAC1 (0.60) HDAC1AKR1C2HDAC3HDAC2HDAC4
SCHEMBL6286578 0.76 RORC (0.39) MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6290835 0.75 KLK6 (0.41) HDAC1NTRK1HDAC3HDAC2HDAC4

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 3488/4885AKR1C2 2816/4885NTRK1 990/4885

“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.