SCHEMBL19059441

SCHEMBL19059441

COC(=O)C(Cc1c[nH]cn1)NC(=O)CCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.49
HDAC1 Q13547 8/20 0.49
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 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
SCHEMBL19051472 0.88 SLC6A5 (0.39)
SCHEMBL18796598 0.87 HDAC6 (0.54) HDAC6HDAC1
SCHEMBL27926541 0.87 HDAC6 (0.54) HDAC6HDAC1
SCHEMBL2471870 0.86 OPRK1 (0.40) HDAC6HDAC1MEN1KMT2A
SCHEMBL2471875 0.86 OPRK1 (0.40) HDAC6HDAC1MEN1KMT2A
SCHEMBL18381363 0.86 MMP1 (0.43) HDAC6HDAC1
SCHEMBL19451083 0.85 HDAC6 (0.48) HDAC6HDAC1MEN1HCRTR1KMT2A
SCHEMBL26080391 0.85 PTPN1 (0.37) HDAC6HDAC1
SCHEMBL2597834 0.85 HDAC6 (0.48) HDAC6HDAC1MEN1HCRTR1KMT2A
SCHEMBL18381353 0.85 PTPN1 (0.37) HDAC6HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 HDAC6 201/4885HDAC1 200/4885MEN1 1875/4885

“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.