SCHEMBL4024912

SCHEMBL4024912

CN1CCN(CCCO)C(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
PABPC1 P11940 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP19 O94966 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL14357416 0.88 GAA (0.39) GAAKMT2AL3MBTL1NPC1RAB9A
SCHEMBL4024910 0.82 GAA (0.38) GAANPC1RAB9ASLC6A2SLC6A4
SCHEMBL15244580 0.82 NPC1 (0.40) GAAKMT2AALDH1A1L3MBTL1NPC1
SCHEMBL15884956 0.81 GAA (0.37) GAANPC1RAB9ASLC6A2SLC6A4
SCHEMBL26032908 0.81 PLA2G2A (0.41) GAAALDH1A1NPC1RAB9ATSHR
SCHEMBL14357419 0.80 SLC6A2 (0.36) KMT2AALDH1A1PABPC1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL6022496 0.79 GAA (0.36) GAANPC1RAB9ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5488595 0.79 GAA (0.36) GAANPC1RAB9ASLC6A2SLC6A4
SCHEMBL25045346 0.79 KMT2A (0.36) GAAKMT2ANPC1RAB9A
SCHEMBL14357424 0.79 HTR1A (0.35) GAAKMT2AALDH1A1PABPC1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US disclosed
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
EP-0797984-B1 Anti-aging cosmetic composition SHISEIDO CO LTD (JP) 2005-02-16 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
US-5853705-A Anti-aging cosmetic composition SHISEIDO COMPANY, LTD. (JP) 1998-12-29 US disclosed
EP-0797984-A2 Anti-aging cosmetic composition SHISEIDO COMPANY LIMITED (JP) 1997-10-01 EP 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-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS KCNK3, KCNJ2, KCNK2 GAA 1514/4885KMT2A 383/4885ALDH1A1 2590/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI GAA 1764/4885KMT2A 706/4885ALDH1A1 1137/4885

“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.