SCHEMBL5618591

SCHEMBL5618591

CCCc1nc2cnc3cccnc3c2n1CCCC(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
PDE10A Q9Y233 3/20 0.38
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
TP53 P04637 3/20 0.33
BRD4 O60885 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GAA P10253 2/20 0.33
SLC6A9 P48067 1/20 0.33
ENPP2 Q13822 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 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
SCHEMBL5618843 0.85 TLR7 (0.41) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL5618189 0.83 IDO1 (0.42) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL3176214 0.83 TLR7 (0.49) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL4312799 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL4316388 0.82 TLR7 (0.40) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL5794523 0.81 PDE10A (0.36) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL5618933 0.81 TLR8 (0.37) SMN1; SMN2MAPTLMNATLR7TP53
SCHEMBL12888448 0.80 HPGD (0.42) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL5618129 0.80 HPGD (0.38) SMN1; SMN2HPGDPDE10AMAPTLMNA
SCHEMBL5617904 0.80 TP53 (0.41) SMN1; SMN2HPGDPDE10ALMNATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 US disclosed
EP-1686992-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051324-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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 (1 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-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines IFNG, IRF3, IDO1 SMN1; SMN2 3106/4885HPGD 27/4885PDE10A 3669/4885

“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.