SCHEMBL4904525

SCHEMBL4904525

C[C@@H](NCC(=O)Nc1ccc(CCc2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
HDAC3 O15379 8/20 0.42
HDAC4 P56524 8/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC7 Q8WUI4 8/20 0.42
HDAC2 Q92769 8/20 0.42
HDAC10 Q969S8 8/20 0.42
HDAC11 Q96DB2 8/20 0.42
HDAC8 Q9BY41 8/20 0.42
HDAC6 Q9UBN7 8/20 0.42
HDAC9 Q9UKV0 8/20 0.42
HDAC5 Q9UQL6 8/20 0.42
F7 P08709 2/20 0.41
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4877744 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1MMP9MMP8
SCHEMBL1109551 0.92 MEN1 (0.46) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL1109494 0.92 MEN1 (0.46) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL4877739 0.91 MEN1 (0.45) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL4904520 0.91 MEN1 (0.45) KMT2AMEN1ALDH1A1HDAC3HDAC4
SCHEMBL436268 0.90 MEN1 (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL404287 0.90 MEN1 (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL400694 0.88 MEN1 (0.42) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL405616 0.88 MEN1 (0.42) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4233159 0.81 HDAC8 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885MEN1 2414/4885ALDH1A1 782/4885

“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.