SCHEMBL3178293

SCHEMBL3178293

NOCCCCn1cnc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ADORA2A P29274 2/20 0.30
ACHE P22303 1/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDE3A Q14432 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
SCHEMBL3817534 0.86 ACHE (0.34) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL3176199 0.85 TK1 (0.43) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL8114300 0.85 CSNK2A2 (0.43) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL4917188 0.85 NPC1 (0.32) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL8126995 0.84 ADORA2A (0.46) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL8121668 0.84 ADORA2A (0.46) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL7551424 0.84 CHRNE (0.33) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL3162983 0.83 ALDH1A1 (0.34) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL3179358 0.81 RECQL (0.36) ALDH1A1MAPTRAB9ANPC1THRB
SCHEMBL14516490 0.78 TLR7 (0.41) ALDH1A1MAPTRAB9ANPC1THRB

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 7 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-1653914-A4 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-29 EP disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 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 (2 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-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 ALDH1A1 513/4885MAPT 4525/4885RAB9A 3945/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 ALDH1A1 1370/4885MAPT 4387/4885RAB9A 3972/4885

“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.