SCHEMBL7243286

SCHEMBL7243286

O=C1C(Nc2ccc(F)c(F)c2)=C(N2CCCC2)C(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ APAF1 O14727 6/20 0.47
▸ HTT P42858 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ KLF5 Q13887 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ CDC25A P30304 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ PTPRC P08575 3/20 0.42

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
SCHEMBL7246028 0.84 MAPT (0.67) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL7240437 0.82 APAF1 (0.51) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL7248160 0.77 CDC25A (0.53) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL2525803 0.74 MAPT (0.68) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL7246128 0.70 MAPT (0.76) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL2462638 0.69 MAPT (0.71) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL16296946 0.69 MAPT (0.79) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL5697459 0.68 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL16297041 0.67 MAPT (0.76) ALDH1A1SMN1; SMN2APAF1HTTMAPT
SCHEMBL16297270 0.67 MAPT (0.71) ALDH1A1SMN1; SMN2APAF1HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases STURGESS MICHAEL ALAN (US) 2003-12-18 — — US 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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases PCNA, TP53, MKI67 ALDH1A1 3245/4885SMN1; SMN2 4052/4885APAF1 1727/4885

“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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