SCHEMBL4447235

SCHEMBL4447235

COc1ccc(C(OC[C@H](NC(=O)CCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ MDM2 Q00987 1/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.39
▸ TLR2 O60603 2/20 0.38
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 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
SCHEMBL30924966 0.88 MDM2 (0.40) KMT2AMDM2TLR2MDM4TP53
SCHEMBL20371136 0.87 MDM2 (0.46) KMT2AMDM2MDM4TP53
SCHEMBL574677 0.85 KMT2A (0.55) KMT2AMDM2TLR2MDM4TP53
SCHEMBL8843737 0.85 KMT2A (0.52) KMT2AMDM2TLR2MDM4TP53
SCHEMBL25631518 0.82 KMT2A (0.45) KMT2AMDM2TLR2MDM4TP53
SCHEMBL889833 0.82 KMT2A (0.46) KMT2AMDM2TLR2MDM4TP53
SCHEMBL3423921 0.82 KMT2A (0.46) KMT2AMDM2TLR2MDM4TP53
SCHEMBL18349843 0.81 HDAC1 (0.45) KMT2AHDAC6SMN1; SMN2
SCHEMBL8586600 0.81 KMT2A (0.50) KMT2AMDM2TLR2MDM4TP53
SCHEMBL13169256 0.81 KMT2A (0.50) KMT2AMDM2TLR2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491805-B2 Biological conjugates used for drug delivery; side effect reduction SIRNA THERAPEUTICS, INC. (US) 2009-02-17 — — US disclosed
US-20040249178-A1 Biological conjugates used for drug delivery; side effect reduction SIRNA THERAPEUTICS, INC. (US) 2004-12-09 — — 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-20040249178-A1 Biological conjugates used for drug delivery; side effect reduction ALB, HEXA, ADAR KMT2A 996/4885MDM2 1939/4885HDAC6 184/4885

“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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