SCHEMBL22181998

SCHEMBL22181998

Nc1ccc(C(=O)c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.53
▸ HEXA P06865 6/20 0.51
▸ HEXB P07686 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49

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
SCHEMBL22181899 0.91 MEN1 (0.56) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181915 0.89 ALDH1A1 (0.57) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181854 0.89 SIRT1 (0.57) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181855 0.88 TP53 (0.53) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22182092 0.87 HDAC3 (0.52) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181876 0.86 SIRT1 (0.55) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181869 0.86 SIRT1 (0.52) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22182064 0.85 ALDH1A1 (0.52) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181908 0.83 MEN1 (0.55) SIRT1HEXAHEXBMEN1KMT2A
SCHEMBL22181907 0.82 SIRT1 (0.53) SIRT1HEXAHEXBMEN1KMT2A

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 SIRT1 2546/4885HEXA 2765/4885HEXB 2886/4885

“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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