SCHEMBL6512086

SCHEMBL6512086

COc1ccc(C(NCCCC(=O)NCC(O)CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ TLR2 O60603 2/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL3423921 0.83 KMT2A (0.46) KMT2ATLR2MDM2MDM4TP53
SCHEMBL889833 0.83 KMT2A (0.46) KMT2ATLR2MDM2MDM4TP53
SCHEMBL6512316 0.80 KMT2A (0.37) KMT2ATLR2MDM2HDAC3HDAC4
SCHEMBL20371116 0.78 KMT2A (0.44) KMT2AMDM2MDM4TP53
SCHEMBL8843737 0.78 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL19402725 0.78 MDM2 (0.59) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29379713 0.78 MDM2 (0.59) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29470876 0.78 MDM2 (0.59) KMT2ATLR2MDM2MDM4TP53
SCHEMBL13402819 0.78 MDM2 (0.59) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29414971 0.78 MDM2 (0.59) KMT2ATLR2MDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050233360-A1 Nucleic acid probes and methods to detect and/or quantify nucleic acid analytes PROLIGO, LLC (US) 2005-10-20 — — US 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-20050233360-A1 Nucleic acid probes and methods to detect and/or quantify nucleic acid analytes HLA-C, HLA-B, SLC43A3 KMT2A 3685/4885TLR2 1565/4885MDM2 1395/4885

“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.

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