SCHEMBL1140913

SCHEMBL1140913

O=[N+]([O-])CC1(O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11651593 0.98 CYP2C19 (0.33) CYP2C19
SCHEMBL1140855 0.95
SCHEMBL5612235 0.86 CYP2C19 (0.32) CYP2C19
SCHEMBL5612240 0.86 CYP2C19 (0.32) CYP2C19
SCHEMBL307525 0.83
SCHEMBL306721 0.79 TSHR (0.31)
SCHEMBL10521581 0.79 DRD2 (0.31)
SCHEMBL25355907 0.78
SCHEMBL102874 0.76 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL31372417 0.73

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
EP-1765348-B1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2016-08-03 EP disclosed
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2015-08-06 US disclosed
US-9006264-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-14 US disclosed
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-01-09 US disclosed
US-8541438-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-24 US disclosed
US-7939526-B2 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-7884207-B2 such as 4-[(4-Amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)methyl]tetrahydro-2H-pyran-4-ol, used as immunomodulators, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-08 US disclosed
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070155767-A1 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY 2007-07-05 US disclosed
EP-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP disclosed
CN-1914203-A Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 CN disclosed
EP-1694674-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 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 (7 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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885TDP1 3013/4885CYP2C19 3386/4885
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885TDP1 3013/4885CYP2C19 3386/4885
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines IL2, IFNG, IL4 ALDH1A1 2253/4885TDP1 2808/4885CYP2C19 2891/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 ALDH1A1 1178/4885TDP1 3959/4885CYP2C19 2629/4885
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885TDP1 3013/4885CYP2C19 3386/4885
US-20070155767-A1 Sulfone substituted imidazo ring ethers IL2, IL4, IFNG ALDH1A1 2118/4885TDP1 4624/4885CYP2C19 2653/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885TDP1 3013/4885CYP2C19 3386/4885

“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.