SCHEMBL5654375

SCHEMBL5654375

CCOC(CCn1c(CC)nc2c[n+]([O-])c3ccccc3c21)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TLR7 Q9NYK1 3/20 0.34
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
MAPT P10636 3/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL4151275 0.92 SMN1; SMN2 (0.39) LMNASMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL4153678 0.82 LMNA (0.36) LMNASMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL5635079 0.79 TSHR (0.44) LMNASMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL4530124 0.77 MEN1 (0.42) LMNASMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL1894486 0.76 TLR7 (0.40) LMNASMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL6098569 0.76 TLR8 (0.42) LMNASMN1; SMN2TSHRTLR7KDM4E
SCHEMBL30851293 0.74 MAPT (0.40) SMN1; SMN2TSHRMAPK1TLR7MEN1
SCHEMBL20797076 0.74 MAPT (0.40) SMN1; SMN2TSHRMAPK1TLR7MEN1
SCHEMBL5634434 0.72 TLR7 (0.63) TLR7
SCHEMBL4155789 0.72 KMT2A (0.42) LMNASMN1; SMN2TSHRALDH1A1KDM4E

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 LMNA 4019/4885SMN1; SMN2 3106/4885TSHR 1134/4885

“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.