SCHEMBL4535692

SCHEMBL4535692

CCc1nc2cnc3ccccc3c2n1CC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDPK1 O15530 1/20 0.37
AKT1 P31749 1/20 0.37
CFTR P13569 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
S1PR2 O95136 1/20 0.35
HSP90AA1 P07900 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL4519659 0.90 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9APDPK1AKT1
SCHEMBL4524929 0.84 TLR7 (0.52)
SCHEMBL4533397 0.81 ADORA2B (0.39) PDPK1AKT1KMT2AMEN1ABCG2
SCHEMBL4539942 0.77 MAPT (0.42) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4531255 0.74 MEN1 (0.43) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4531191 0.73 TLR7 (0.54)
SCHEMBL4533404 0.73 TLR7 (0.52) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4530686 0.72 ADORA2B (0.38) RAB9APDPK1AKT1KMT2AMEN1
SCHEMBL15726068 0.67 PDE4A (0.53)
SCHEMBL4532466 0.67 TLR7 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT

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-8802853-B2 Arylalkenyl and arylalkynyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-12 US disclosed
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-29 US disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (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-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 SMN1; SMN2 4419/4885NPC1 1490/4885RAB9A 2133/4885

“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.