SCHEMBL5028293

SCHEMBL5028293

N#CCCNc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.56
THRB P10828 1/20 0.52
MAPT P10636 3/20 0.38
RPS6KA2 Q15349 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH3 Q9ULD8 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL11252528 0.91 GAA (0.70) GAAALDH1A1HTTTHRBMAPT
SCHEMBL2705170 0.81 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL11142878 0.81 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL10498902 0.81 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL6093032 0.81 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL6161907 0.81 THRB (0.66) GAAALDH1A1HTTTHRBMAPT
SCHEMBL6554127 0.80 GAA (0.58) GAAALDH1A1HTTTHRBMAPT
SCHEMBL141474 0.80 GAA (0.58) GAAALDH1A1HTTTHRBMAPT
SCHEMBL196987 0.80 CA2 (0.46) GAAALDH1A1HTTMAPTRPS6KA2
SCHEMBL6572219 0.79 GAA (0.58) GAAALDH1A1HTTTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 GAA 46/4885ALDH1A1 1779/4885HTT 556/4885

“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.