SCHEMBL22181891

SCHEMBL22181891

CNC(=O)c1cc(-c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SIRT1 Q96EB6 2/20 0.45
▸ HEXA P06865 4/20 0.45
▸ HEXB P07686 4/20 0.45
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL22181889 0.90 LPAR2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181986 0.90 SIRT1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181861 0.85 SIRT1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22182117 0.84 SIRT1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181984 0.83 POLB (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181884 0.82 LPAR2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22182084 0.82 SIRT1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181894 0.81 SIRT1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL22181917 0.81 SIRT1 (0.57) CYP3A4ALDH1A1MAPTTHRBHPGD
SCHEMBL22181854 0.81 SIRT1 (0.57) CYP3A4ALDH1A1MAPTTHRBHPGD

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 CYP1A2 2231/4885CYP3A4 2374/4885CYP2D6 1022/4885

“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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