SCHEMBL6290656

SCHEMBL6290656

Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KLK6 Q92876 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL6290828 0.91 CASP1 (0.51) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6287331 0.91 HDAC1 (0.53) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6287814 0.89 HDAC1 (0.50) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6290839 0.88 HDAC1 (0.56) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6284082 0.87 HDAC1 (0.60) HDAC1GAAMAPTHDAC3HDAC4
SCHEMBL6286718 0.86 HDAC1 (0.50) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6287864 0.86 HDAC1 (0.56) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6290235 0.86 HDAC1 (0.56) HDAC1KDM4EALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL6287747 0.85 HDAC1 (0.55) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6286761 0.85 KDM4E (0.49) HDAC1KDM4EALDH1A1GAAMAPT

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 3488/4885KDM4E 2972/4885ALDH1A1 2042/4885

“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.