SCHEMBL22181899

SCHEMBL22181899

O=C(c1ccccc1)c1ccc(NCCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SIRT1 Q96EB6 3/20 0.55
▸ KDM4E B2RXH2 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LPAR2 Q9HBW0 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HEXA P06865 3/20 0.51
▸ HEXB P07686 3/20 0.51
▸ OGA O60502 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51

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
SCHEMBL22181998 0.91 SIRT1 (0.53) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22181915 0.91 ALDH1A1 (0.57) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22181855 0.88 TP53 (0.53) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22181908 0.87 MEN1 (0.55) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22182064 0.87 ALDH1A1 (0.52) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22182092 0.87 HDAC3 (0.52) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22181999 0.82 ALDH1A1 (0.49) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22181907 0.82 SIRT1 (0.53) MEN1KMT2ASIRT1KDM4ESMN1; SMN2
SCHEMBL22182098 0.81 SIRT1 (0.57) MEN1KMT2ASIRT1KDM4ELPAR2
SCHEMBL22181917 0.79 SIRT1 (0.57) MEN1KMT2ASIRT1KDM4ESMN1; SMN2

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 MEN1 1430/4885KMT2A 2226/4885SIRT1 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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