SCHEMBL21786983

SCHEMBL21786983

O=CNCCCNC(=O)c1ccc(C(=O)NO)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.44
▸ HDAC1 Q13547 8/20 0.44
▸ HDAC3 O15379 6/20 0.44
▸ HDAC4 P56524 6/20 0.44
▸ HDAC7 Q8WUI4 6/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC10 Q969S8 6/20 0.44
▸ HDAC11 Q96DB2 6/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC9 Q9UKV0 6/20 0.44
▸ HDAC5 Q9UQL6 6/20 0.44
▸ APP P05067 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL21787242 0.85 SMYD3 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL19662620 0.83 GRIN1 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21787244 0.81 HDAC1 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21787243 0.81 MAPK1 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL19662501 0.80 HDAC1 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29855708 0.75 HDAC6 (0.53) HDAC6MAPK1
SCHEMBL24440484 0.74 HDAC6 (0.60) HDAC6
SCHEMBL29633482 0.74 HDAC6 (0.60) HDAC6
SCHEMBL18619400 0.73 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL24913445 0.72 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC8MPO

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 — — US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 — — 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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT HDAC6 3868/4885HDAC1 4732/4885HDAC3 4156/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 HDAC6 4002/4885HDAC1 4822/4885HDAC3 4397/4885

“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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