SCHEMBL4535538

SCHEMBL4535538

CCc1nc2c[n+]([O-])c3ccccc3c2n1CC#Cc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 3/20 0.33
PDE10A Q9Y233 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL4531674 0.84 MEN1 (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4539942 0.80 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4530124 0.79 MEN1 (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4530654 0.74 TLR7 (0.57)
SCHEMBL26981077 0.74 TLR7 (0.59) RXFP1
SCHEMBL5654375 0.72 LMNA (0.40) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL1894486 0.69 TLR7 (0.40) MAPTCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10734478 0.69 PIK3CA (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20797076 0.68 MAPT (0.40) MAPTMEN1KMT2ATSHRTP53
SCHEMBL30851293 0.68 MAPT (0.40) MAPTMEN1KMT2ATSHRTP53

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 MAPT 4633/4885CYP1A2 1246/4885CYP3A4 1029/4885

“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.