SCHEMBL19688917

SCHEMBL19688917

BOC(=O)N(C)C(=O)On1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
SIRT2 Q8IXJ6 4/20 0.49
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL5649727 0.84 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5651339 0.80 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2608492 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1562975 0.76 SIRT2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL39113 0.76 SIRT2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29773981 0.76 SIRT2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22647434 0.75 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11138777 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28621513 0.75 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL239516 0.75 SIRT2 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944579-B2 Catalytic hydrogenation process for the synthesis of terminal diols from terminal dialkyl aliphatic esters COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-17 US disclosed
US-20170349514-A1 CATALYTIC HYDROGENATION PROCESS FOR THE SYNTHESIS OF TERMINAL DIOLS FROM TERMINAL DIALKYL ALIPHATIC ESTERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-07 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-20170349514-A1 CATALYTIC HYDROGENATION PROCESS FOR THE SYNTHESIS OF TERMINAL DIOLS FROM TERMINAL DIALKYL ALIPHATIC ESTERS HACL2, HPD, HAO2 HDAC3 1581/4885HDAC4 973/4885HDAC1 2103/4885

“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.