SCHEMBL3109524

SCHEMBL3109524

Cn1ncc(NC(=O)[C@H](CCCNC(=O)O)N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
SIRT5 Q9NXA8 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
NPSR1 Q6W5P4 5/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL3109532 1.00 HDAC4 (0.35) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3122773 0.98 SIRT5 (0.38) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3122762 0.98 SIRT5 (0.38) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3107463 0.86 CA1 (0.38) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3121435 0.85 SIRT5 (0.40) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3123178 0.85 SIRT5 (0.37) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3123164 0.85 SIRT5 (0.37) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3227631 0.85 SIRT5 (0.37) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3227645 0.85 SIRT5 (0.37) HDAC4HDAC1SIRT5HDAC3HDAC7
SCHEMBL3113431 0.85 HDAC4 (0.33) HDAC4HDAC1SIRT5HDAC3HDAC7

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-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S HDAC4 4580/4885HDAC1 3645/4885SIRT5 2197/4885

“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.