SCHEMBL3873495

SCHEMBL3873495

CC(C)OC(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
ALOX15 P16050 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
MAPT P10636 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
STAT3 P40763 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
MEN1 O00255 2/20 0.47

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
SCHEMBL9205767 0.85 HRH3 (0.58) ALDH1A1KDM4EHRH3KMT2ANPC1
SCHEMBL64370 0.85 NPC1 (0.71) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL25667152 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL28009793 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL12376678 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL5089275 0.82 PIK3CA (0.67) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL209882 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL31283651 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL63778 0.79 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL2974981 0.77 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US disclosed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 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 (3 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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ALDH1A1 2147/4885HSD17B10 4131/4885HPGD 883/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 ALDH1A1 2147/4885HSD17B10 4131/4885HPGD 883/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ALDH1A1 2147/4885HSD17B10 4131/4885HPGD 883/4885

“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.