SCHEMBL7241156

SCHEMBL7241156

CC(C)N(C(N)=S)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 12/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ MAPT P10636 13/20 0.59
▸ ALDH1A1 P00352 10/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.59
▸ HTT P42858 6/20 0.59
▸ POLB P06746 5/20 0.59
▸ LMNA P02545 4/20 0.59
▸ MITF O75030 3/20 0.59
▸ KLF5 Q13887 1/20 0.59
▸ CDC25A P30304 1/20 0.57
▸ CDC25B P30305 1/20 0.57
▸ L3MBTL1 Q9Y468 8/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ GAA P10253 6/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.52
▸ NSD2 O96028 3/20 0.52
▸ KDM4E B2RXH2 4/20 0.50

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
SCHEMBL7253110 0.90 APAF1 (0.62) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7245820 0.88 APAF1 (0.62) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7256263 0.82 APAF1 (0.63) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7240512 0.80 MAPT (0.65) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7240441 0.78 MAPT (0.69) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7247910 0.77 APAF1 (0.76) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL4874221 0.77 APAF1 (0.97) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL4872810 0.77 MAPT (0.76) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL7247303 0.77 MAPT (0.97) APAF1RAB9ANPC1MAPTALDH1A1
SCHEMBL5807881 0.76 APAF1 (1.00) APAF1RAB9ANPC1MAPTALDH1A1

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 3 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
WO-2002077609-A2 IDENTIFICATION OF COMPOUNDS FOR THE TREATMENT OR PREVENTION OF PROLIFERATIVE DISEASES MESSAGE PHARMACEUTICALS, INC. (US) 2002-10-03 — — 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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases PCNA, TP53, MKI67 APAF1 1727/4885RAB9A 4714/4885NPC1 1051/4885

“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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