SCHEMBL3172845

SCHEMBL3172845

Cc1nc(Cl)c([N+](=O)[O-])c(NCCCO)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 8/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRK1 P41145 1/20 0.34
MCL1 Q07820 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BCL6 P41182 1/20 0.33
BCOR Q6W2J9 1/20 0.33
PKM P14618 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL4773797 0.96 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4771569 0.95 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4769171 0.95 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4776141 0.92 POLB (0.43) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4773953 0.87 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4777754 0.86 MAPT (0.43) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL13527456 0.86 POLB (0.42) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4772531 0.85 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4011042 0.82 TOP2A (0.46) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4775385 0.80 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
EP-1653955-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
EP-1653914-A4 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-29 EP disclosed
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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 (5 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 POLB 3686/4885ALDH1A1 1803/4885MAPT 4044/4885
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 POLB 1143/4885ALDH1A1 513/4885MAPT 4525/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 POLB 983/4885ALDH1A1 1370/4885MAPT 4387/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP POLB 3743/4885ALDH1A1 940/4885MAPT 4354/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 POLB 3686/4885ALDH1A1 1803/4885MAPT 4044/4885

“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.