SCHEMBL13201642

SCHEMBL13201642

CN(C)c1ccc(/C=C/c2nc3ccc(N(C)CCOOC#CI)cc3oc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.33
MAPT P10636 2/20 0.32
INSR P06213 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL62571 0.81 KMT2A (0.39) APPMAPTINSR
SCHEMBL62350 0.78 MAOA (0.37) APPMAPTINSRMAOAMAOB
SCHEMBL62023 0.77 SLC16A3 (0.38) APPMAPTINSRMAOA
SCHEMBL13931380 0.77 EGFR (0.38) APPMAPTINSRMAOA
SCHEMBL13201658 0.77 MAOA (0.37) APPMAPTINSRMAOAMAOB
SCHEMBL62625 0.76 MAOA (0.37) APPMAPTINSRMAOAMAOB
SCHEMBL23533647 0.66 SLC16A3 (0.40) MAPTMAOA
SCHEMBL11136666 0.64 INSR (0.51) APPMAPTINSR
SCHEMBL11136663 0.64 INSR (0.51) APPMAPTINSR
SCHEMBL31722935 0.62 SLC16A3 (0.36) MAPTMAOB

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-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 APP 4640/4885MAPT 2743/4885INSR 4540/4885

“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.