SCHEMBL574677

SCHEMBL574677

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MDM2 Q00987 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TLR2 O60603 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CASP3 P42574 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
SCHEMBL4447235 0.85 KMT2A (0.52) KMT2AMDM2SMN1; SMN2MDM4TP53
SCHEMBL12532519 0.80 KMT2A (0.57) KMT2AMDM2SMN1; SMN2ALDH1A1HDAC3
SCHEMBL7752815 0.79 KMT2A (0.67) KMT2AMDM4TP53TLR2CASP3
SCHEMBL574824 0.79 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1HDAC3HDAC1
SCHEMBL574816 0.78 KMT2A (0.64) KMT2ATLR2CASP3
SCHEMBL6512086 0.77 KMT2A (0.49) KMT2AMDM2MDM4TP53TLR2
SCHEMBL6297130 0.77 KMT2A (0.52) KMT2AMDM2MDM4TP53TLR2
SCHEMBL8843737 0.77 KMT2A (0.52) KMT2AMDM2MDM4TP53TLR2
SCHEMBL28823765 0.77 KMT2A (0.68) KMT2ATLR2CASP3
SCHEMBL15669323 0.77 KMT2A (0.68) KMT2ATLR2CASP3

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
EP-2415486-A2 Conjugates and compositions for cellular delivery Sirna Therapeutics, Inc. (US) 2012-02-08 — — EP disclosed
US-7964578-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2011-06-21 — — US disclosed
US-20110124853-A1 Conjugates and Compositions for Cellular Delivery CHEN TONGQIAN 2011-05-26 — — 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-20110124853-A1 Conjugates and Compositions for Cellular Delivery ALB, PHAX, HEXA KMT2A 1090/4885MDM2 1693/4885SMN1; SMN2 2763/4885

“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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