SCHEMBL22182060

SCHEMBL22182060

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 6/20 0.54
▸ HEXB P07686 6/20 0.54
▸ SIRT1 Q96EB6 3/20 0.50
▸ OGA O60502 1/20 0.46
▸ LCK P06239 1/20 0.45
▸ LPAR2 Q9HBW0 2/20 0.45
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 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
SCHEMBL22181859 0.88 HEXA (0.63) HEXAHEXBSIRT1OGALCK
SCHEMBL22182093 0.87 SIRT1 (0.54) HEXAHEXBSIRT1OGALPAR2
SCHEMBL22181902 0.83 SIRT1 (0.57) HEXAHEXBSIRT1OGALCK
SCHEMBL22181854 0.83 SIRT1 (0.57) HEXAHEXBSIRT1OGALCK
SCHEMBL22181858 0.81 ALDH1A1 (0.64) HEXAHEXBSIRT1POLBMEN1
SCHEMBL22181917 0.81 SIRT1 (0.57) HEXAHEXBSIRT1OGAPOLB
SCHEMBL22182098 0.81 SIRT1 (0.57) HEXAHEXBSIRT1OGALPAR2
SCHEMBL22181870 0.81 SIRT1 (0.57) HEXAHEXBSIRT1OGAPOLB
SCHEMBL22182071 0.81 SIRT1 (0.54) HEXAHEXBSIRT1OGALPAR2
SCHEMBL22181857 0.80 SIRT1 (0.56) HEXAHEXBSIRT1OGAPOLB

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

“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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