SCHEMBL22181917

SCHEMBL22181917

CNc1ccc(-c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.57
▸ HEXA P06865 7/20 0.56
▸ HEXB P07686 7/20 0.56
▸ OGA O60502 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ RCE1 Q9Y256 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HK1 P19367 1/20 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
SCHEMBL22181870 0.88 SIRT1 (0.57) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181859 0.88 HEXA (0.63) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181854 0.88 SIRT1 (0.57) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22182098 0.88 SIRT1 (0.57) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181902 0.88 SIRT1 (0.57) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181885 0.87 SIRT1 (0.49) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181857 0.87 SIRT1 (0.56) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22181911 0.86 SIRT1 (0.58) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22182071 0.85 SIRT1 (0.54) SIRT1HEXAHEXBOGAPOLB
SCHEMBL22182093 0.85 SIRT1 (0.54) SIRT1HEXAHEXBOGAPOLB

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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