SCHEMBL19219810

SCHEMBL19219810

NCCCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)c2cccc(NC(=O)[C@H](CCCCN)NC(=O)c3cccc(NC(=O)[C@@H](N)CCCCN)c3)c2)c1)C(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.52
▸ HDAC4 P56524 6/20 0.52
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC7 Q8WUI4 6/20 0.52
▸ HDAC2 Q92769 6/20 0.52
▸ HDAC10 Q969S8 6/20 0.52
▸ HDAC11 Q96DB2 6/20 0.52
▸ HDAC8 Q9BY41 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC9 Q9UKV0 6/20 0.52
▸ HDAC5 Q9UQL6 6/20 0.52
▸ ERAP2 Q6P179 10/20 0.49
▸ LNPEP Q9UIQ6 8/20 0.49
▸ ERAP1 Q9NZ08 5/20 0.48
▸ HPGDS O60760 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL12514993 0.99 ERAP2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19445760 0.89 ERAP2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19445846 0.87 ERAP2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21371933 0.86 ERAP2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12517112 0.85 ERAP2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21371991 0.85 ERAP2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21371923 0.85 ERAP2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19945119 0.85 ERAP2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21371992 0.85 ERAP2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10262687 0.85 HDAC3 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HDAC3 328/4885HDAC4 454/4885HDAC1 562/4885

“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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