SCHEMBL6287571

SCHEMBL6287571

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
VDR P11473 1/20 0.43
CDK2 P24941 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 1/20 0.42
SSTR3 P32745 1/20 0.40
CYP19A1 P11511 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
BCL2 P10415 1/20 0.39
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

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 0.90 HDAC1 (0.50) HDAC1MAPTGAAHDAC3HDAC4
SCHEMBL6287018 0.89 ESR1 (0.48) HDAC1MAPTGAALMNAHDAC3
SCHEMBL6290426 0.89 HDAC1 (0.54) HDAC1MEN1KMT2AMAPTLMNA
SCHEMBL6290249 0.84 HDAC8 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL6285408 0.84 HDAC1 (0.44) HDAC1MAPTGAAHDAC3HDAC4
SCHEMBL6287918 0.83 FPR2 (0.52) HDAC1MEN1KMT2AMAPTLMNA
SCHEMBL6287814 0.83 HDAC1 (0.50) HDAC1MAPTGAALMNAHDAC3
Trifluoroacetic Acid SCHEMBL6288051 0.82 HDAC1 (0.44) HDAC1MAPTGAAHDAC3HDAC4
SCHEMBL6290828 0.81 CASP1 (0.51) HDAC1MAPTGAAHDAC3HDAC4
SCHEMBL6290351 0.81 HDAC8 (0.55) HDAC1MAPTLMNAHDAC3HDAC4

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 3488/4885VDR 1762/4885CDK2 1548/4885

“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.