SCHEMBL22181855

SCHEMBL22181855

CC(C)c1ccc(C(=O)c2ccc(NCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ SIRT1 Q96EB6 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ HEXA P06865 3/20 0.49
▸ HEXB P07686 3/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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 0.88 SIRT1 (0.53) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22181915 0.88 ALDH1A1 (0.57) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22181899 0.88 MEN1 (0.56) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22182064 0.84 ALDH1A1 (0.52) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22182116 0.84 TP53 (0.44) TP53ALDH1A1SIRT1HPGDMAPT
SCHEMBL22181908 0.81 MEN1 (0.55) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22182092 0.80 HDAC3 (0.52) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22181907 0.78 SIRT1 (0.53) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22181917 0.77 SIRT1 (0.57) ALDH1A1SIRT1HPGDMAPTTHRB
SCHEMBL22181870 0.77 SIRT1 (0.57) ALDH1A1SIRT1HPGDMAPTTHRB

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 TP53 1575/4885ALDH1A1 785/4885SIRT1 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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