SCHEMBL7247910

SCHEMBL7247910

Nc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 11/20 0.76
▸ MAPT P10636 11/20 0.76
▸ ALDH1A1 P00352 8/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ POLB P06746 6/20 0.76
▸ NPC1 O15118 4/20 0.76
▸ HTT P42858 4/20 0.76
▸ LMNA P02545 3/20 0.76
▸ MITF O75030 2/20 0.76
▸ KLF5 Q13887 1/20 0.76
▸ RAB9A P51151 4/20 0.73
▸ CDC25A P30304 1/20 0.64
▸ CDC25B P30305 1/20 0.64
▸ L3MBTL1 Q9Y468 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ GAA P10253 5/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ NSD2 O96028 2/20 0.61
▸ KDM4E B2RXH2 4/20 0.59

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
SCHEMBL7247303 0.88 MAPT (0.97) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL16297187 0.87 APAF1 (1.00) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL16297041 0.86 MAPT (0.76) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7246128 0.86 MAPT (0.76) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4872810 0.86 MAPT (0.76) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4874221 0.86 APAF1 (0.97) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL16296946 0.84 MAPT (0.79) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL5807881 0.84 APAF1 (1.00) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL16296652 0.84 MAPT (0.79) APAF1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL16296848 0.84 APAF1 (0.79) APAF1MAPTALDH1A1SMN1; SMN2POLB

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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases STURGESS MICHAEL ALAN (US) 2003-12-18 — — US disclosed
US-6630589-B1 Screening assays for compounds that are potentially useful for treating or preventing a proliferative disease. The assays are based on contacting a candidate compound with a cell containing a nucleic acid including a HER2 regulatory element MESSAGE PHARMACEUTICALS 2003-10-07 — — 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 APAF1 1727/4885MAPT 3220/4885ALDH1A1 3245/4885

“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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