SCHEMBL22181894

SCHEMBL22181894

Nc1cccc(-c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc2)c1

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
▸ OGA O60502 1/20 0.49
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44

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
SCHEMBL22181854 0.91 SIRT1 (0.57) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181861 0.89 SIRT1 (0.53) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181989 0.87 SIRT1 (0.54) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181902 0.86 SIRT1 (0.57) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181859 0.86 HEXA (0.63) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22182117 0.86 SIRT1 (0.50) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22182115 0.85 SIRT1 (0.49) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181934 0.84 SIRT1 (0.55) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22181870 0.84 SIRT1 (0.57) SIRT1HEXAHEXBOGAMEN1
SCHEMBL22182098 0.84 SIRT1 (0.57) SIRT1HEXAHEXBOGAMEN1

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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