SCHEMBL6572219

SCHEMBL6572219

N#CCCNc1ccc(CC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.53
THRB P10828 2/20 0.48
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 2/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 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 0.87 GAA (0.70) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL3904104 0.79 L3MBTL1 (0.53) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL6575977 0.79 KMT2A (0.47) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL5028293 0.79 GAA (0.61) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL10498902 0.78 GAA (0.59) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL12852105 0.78 KMT2A (0.46) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL6093032 0.78 GAA (0.59) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL2705170 0.78 GAA (0.59) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL6161907 0.78 THRB (0.66) GAAALDH1A1HTTTHRBKMT2A
SCHEMBL11142878 0.78 GAA (0.59) GAAALDH1A1HTTTHRBKMT2A

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-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 GAA 1132/4885ALDH1A1 365/4885HTT 1694/4885

“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.