SCHEMBL12505905

SCHEMBL12505905

CCCC(=O)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PSMB5 P28074 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRND Q07001 5/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ ACACA Q13085 1/20 0.32

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
SCHEMBL13448309 0.92 POLB (0.35) HTTPOLBNPSR1MEN1MAPK1
SCHEMBL12421897 0.86 POLB (0.32) POLB
SCHEMBL12507623 0.83 ACACB (0.36) POLB
SCHEMBL12508926 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL11955679 0.81 POLB (0.32) POLB
SCHEMBL10310591 0.81 ALDH1A1 (0.35) HTTPOLBNPSR1MEN1MAPK1
SCHEMBL11955673 0.80 POLB (0.32) POLB
SCHEMBL2610530 0.80 POLB (0.36) HTTPOLBMAPK1
SCHEMBL2610533 0.79 AKT1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20010583 0.79 NAMPT (0.31) —

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-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 — — US disclosed
US-20100021481-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY NEKTAR THERAPEUTICS (US) 2010-01-28 — — 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 (2 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-20100021481-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY TNF, TNFRSF1A, TNFRSF9 HTT 1335/4885HDAC3 3669/4885HDAC1 4210/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP HTT 291/4885HDAC3 3446/4885HDAC1 4523/4885

“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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