SCHEMBL22182092

SCHEMBL22182092

Nc1ccccc1C(=O)c1ccc(NCCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ NCOR2 Q9Y618 2/20 0.52
▸ LPAR2 Q9HBW0 4/20 0.51
▸ SIRT1 Q96EB6 3/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HEXA P06865 4/20 0.47
▸ HEXB P07686 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47

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
SCHEMBL22182021 0.90 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181998 0.87 SIRT1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181899 0.87 MEN1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181915 0.83 ALDH1A1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22182078 0.82 LPAR2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181837 0.81 SIRT1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181855 0.80 TP53 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181908 0.80 MEN1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181876 0.78 SIRT1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22181854 0.78 SIRT1 (0.57) 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-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2022-05-12 — — US disclosed
WO-2020139291-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2020-07-02 — — WO 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-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES NPM1, ECI1, IPO5 HDAC3 2517/4885HDAC4 1489/4885HDAC1 1193/4885

“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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