SCHEMBL5376935

SCHEMBL5376935

CN(C)CCCOS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TSHR P16473 3/20 0.64
KDM4E B2RXH2 2/20 0.64
USP2 O75604 2/20 0.64
LMNA P02545 1/20 0.64
MMP9 P14780 1/20 0.64
ALOX15 P16050 1/20 0.64
HRH3 Q9Y5N1 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LSS P48449 1/20 0.33
CA9 Q16790 1/20 0.33
DNM1 Q05193 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 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
Hydrochloric Acid SCHEMBL2285973 0.98 TSHR (0.61) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL5792262 0.93 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL2077476 0.85 TSHR (0.55) ALDH1A1TSHRKDM4EUSP2LMNA
Hydrochloric Acid SCHEMBL3147877 0.83 USP2 (0.52) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL4033887 0.82 USP2 (0.58) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL28075514 0.79 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL1573666 0.79 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
Busulfan SCHEMBL4764696 0.79 TSHR (1.00) ALDH1A1TSHRKDM4EUSP2LMNA
Busulfan SCHEMBL4373 0.79 TSHR (1.00) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL576408 0.79 TSHR (0.88) ALDH1A1TSHRKDM4EUSP2LMNA

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
US-20180318287-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2018-11-08 US disclosed
EP-3371183-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-09-12 EP disclosed
CN-108349971-A Imidazo [4,5-c] quinoline-2-ketone compound and their purposes in treating cancer 阿斯利康(瑞典)有限公司 2018-07-31 CN disclosed
WO-2017076895-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 WO disclosed
EP-2727920-B1 1,5-NAPHTHYRIDINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2016-11-02 EP disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
CN-1543451-A Receptor modulators activated by peroxizonal proliferators (ppar) 2004-11-03 CN disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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 (4 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-20180318287-A1 Imidazo[4,5-c]quinolin-2-one Compounds and Their Use in Treating Cancer ATM, BRCA1, CHEK2 ALDH1A1 1549/4885TSHR 406/4885KDM4E 2662/4885
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 ALDH1A1 1547/4885TSHR 2021/4885KDM4E 3087/4885
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA ALDH1A1 2292/4885TSHR 103/4885KDM4E 1776/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ALDH1A1 2029/4885TSHR 77/4885KDM4E 1634/4885

“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.