SCHEMBL21787243

SCHEMBL21787243

O=C(O)CCC(=O)NCCCCNC(=O)c1ccc(C(=O)NO)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ HDAC1 Q13547 10/20 0.47
▸ HDAC3 O15379 8/20 0.47
▸ HDAC4 P56524 8/20 0.47
▸ HDAC7 Q8WUI4 8/20 0.47
▸ HDAC2 Q92769 8/20 0.47
▸ HDAC10 Q969S8 8/20 0.47
▸ HDAC11 Q96DB2 8/20 0.47
▸ HDAC8 Q9BY41 8/20 0.47
▸ HDAC6 Q9UBN7 8/20 0.47
▸ HDAC9 Q9UKV0 8/20 0.47
▸ HDAC5 Q9UQL6 8/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL21787244 0.90 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19662501 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21787242 0.82 SMYD3 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21786983 0.81 HDAC6 (0.44) MAPK1HDAC1HDAC3HDAC4HDAC7
SCHEMBL19662620 0.80 GRIN1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21787245 0.80 HDAC1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13293975 0.75 NAAA (0.65) MAPK1LMNAHDAC7HDAC6
SCHEMBL8656369 0.74 MAPK1 (0.73) MAPK1LMNAHDAC1HDAC3HDAC4
SCHEMBL9717451 0.71 MAPK1 (0.85) MAPK1LMNACA1CA2POLB
SCHEMBL11026787 0.70 MAPK1 (0.58) MAPK1LMNAPOLB

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 MAPK1 4844/4885LMNA 370/4885HDAC1 4732/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 MAPK1 4842/4885LMNA 432/4885HDAC1 4822/4885

“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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