SCHEMBL21787244

SCHEMBL21787244

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.47
▸ HDAC2 Q92769 12/20 0.47
▸ HDAC3 O15379 10/20 0.47
▸ HDAC4 P56524 9/20 0.47
▸ HDAC7 Q8WUI4 9/20 0.47
▸ HDAC10 Q969S8 9/20 0.47
▸ HDAC11 Q96DB2 9/20 0.47
▸ HDAC8 Q9BY41 9/20 0.47
▸ HDAC6 Q9UBN7 9/20 0.47
▸ HDAC9 Q9UKV0 9/20 0.47
▸ HDAC5 Q9UQL6 9/20 0.47
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43

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
SCHEMBL19662501 0.94 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL21787243 0.90 MAPK1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL21787242 0.82 SMYD3 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL21786983 0.81 HDAC6 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19662620 0.80 GRIN1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL21787245 0.80 HDAC1 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11092370 0.73 HPGD (0.62) HDAC6POLBHPGDHTTKDM4E
SCHEMBL12553794 0.72 HPGD (0.57) HDAC6POLBHPGDHTTKDM4E
SCHEMBL11089138 0.71 POLB (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11089847 0.70 CDK1 (0.56) HDAC6POLBHPGDHTTKDM4E

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 HDAC1 4732/4885HDAC2 4794/4885HDAC3 4156/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 HDAC1 4822/4885HDAC2 4855/4885HDAC3 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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