SCHEMBL22181992

SCHEMBL22181992

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HEXA P06865 6/20 0.50
▸ HEXB P07686 6/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ OGA O60502 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL22181871 0.90 ALDH1A1 (0.55) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181895 0.86 ALDH1A1 (0.59) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22182098 0.85 SIRT1 (0.57) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181854 0.85 SIRT1 (0.57) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181859 0.85 HEXA (0.63) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181902 0.85 SIRT1 (0.57) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181858 0.85 ALDH1A1 (0.64) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22182015 0.83 ALDH1A1 (0.53) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181917 0.83 SIRT1 (0.57) SIRT1ALDH1A1HPGDMAPTTHRB
SCHEMBL22181870 0.83 SIRT1 (0.57) SIRT1ALDH1A1HPGDMAPTTHRB

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 2546/4885ALDH1A1 785/4885HPGD 1163/4885

“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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