SCHEMBL3914604

SCHEMBL3914604

N#CCCN(CC=Cc1cc(F)cc(F)c1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.35
HTT P42858 1/20 0.35
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
SNCA P37840 1/20 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
SCHEMBL3914600 1.00 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL2934586 0.86 MEN1 (0.48) ALDH1A1POLBGAABCHEMEN1
SCHEMBL2934589 0.86 MEN1 (0.48) ALDH1A1POLBGAABCHEMEN1
SCHEMBL9016972 0.83 POLB (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL2929359 0.77 BCHE (0.40) ALDH1A1POLBGAABCHEMEN1
SCHEMBL2929355 0.77 BCHE (0.40) ALDH1A1POLBGAABCHEMEN1
SCHEMBL151627 0.75 ALDH1A1 (0.52) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL716384 0.75 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2POLB
SCHEMBL3520495 0.71 POLB (0.48) ALDH1A1POLBGAABCHEAR
SCHEMBL7076295 0.70 MEN1 (0.54) BCHEMEN1KMT2AHTT

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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 1523/4885CA12 4352/4885CA1 1431/4885

“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.