SCHEMBL4367541

SCHEMBL4367541

O=C(CO)CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 8/20 0.46
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL6039586 0.97 GAA (0.54) GAAALDH1A1POLBMAPTHTT
SCHEMBL4363535 0.95
SCHEMBL17092622 0.86 GAA (0.56) GAAALDH1A1POLBMAPTHTT
SCHEMBL10892602 0.83 GAA (0.54) GAAALDH1A1POLBMAPTHTT
SCHEMBL142180 0.83 GAA (0.61) GAAALDH1A1POLBMAPTHTT
Hydrochloric Acid SCHEMBL11699100 0.81 GAA (0.58) GAAALDH1A1POLBMAPTHTT
SCHEMBL4367538 0.79 GAA (0.50) GAAALDH1A1POLBMAPTHTT
SCHEMBL6039364 0.78 ALDH1A1 (0.50) GAAALDH1A1POLBMAPTHTT
SCHEMBL8809555 0.77 GAA (0.48) GAAALDH1A1POLBMAPTHTT
SCHEMBL1306310 0.77 GAA (0.48) GAAALDH1A1POLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 US disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1337513-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002036570-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-05-10 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 (2 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-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 GAA 2017/4885ALDH1A1 3317/4885POLB 1028/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX GAA 1185/4885ALDH1A1 2334/4885POLB 2289/4885

“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.