SCHEMBL4531255

SCHEMBL4531255

CCOC(=O)c1ccc(C#CCn2c(CC)nc3cnc4ccccc4c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
BLM P54132 1/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ADORA2B P29275 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL4520939 0.84 TLR7 (0.52) MEN1KMT2ASMN1; SMN2BLM
SCHEMBL4531674 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2BLMRECQL
SCHEMBL4539942 0.82 MAPT (0.42) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4519659 0.80 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4533397 0.76 ADORA2B (0.39) MEN1KMT2AADORA2BLMNAEGFR
SCHEMBL4535692 0.74 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5617074 0.73 TLR7 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL4533404 0.73 TLR7 (0.52) MEN1KMT2ASMN1; SMN2RECQLRAB9A
SCHEMBL4530686 0.72 ADORA2B (0.38) MEN1KMT2ARAB9AALDH1A1ADORA2B
SCHEMBL5617059 0.70 POLB (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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 MEN1 4795/4885KMT2A 3052/4885SMN1; SMN2 4419/4885

“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.