SCHEMBL22181999

SCHEMBL22181999

CN(C)c1ccc(C(=O)c2cccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NR1I2 O75469 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ RCE1 Q9Y256 1/20 0.47
▸ SIRT1 Q96EB6 3/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HEXA P06865 2/20 0.44
▸ HEXB P07686 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
SCHEMBL22182008 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBLMNANR1I2
SCHEMBL22181899 0.82 MEN1 (0.56) ALDH1A1KDM4EPOLBLMNASIRT1
SCHEMBL22182064 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22182021 0.80 HDAC3 (0.50) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22181998 0.79 SIRT1 (0.53) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22181915 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBLMNASIRT1
SCHEMBL22181855 0.78 TP53 (0.53) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22181997 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22182092 0.73 HDAC3 (0.52) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL22181908 0.73 MEN1 (0.55) ALDH1A1KDM4EPOLBSIRT1MEN1

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 ALDH1A1 785/4885KDM4E 1050/4885CYP1A2 2231/4885

“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.

Send feedback