SCHEMBL4324657

SCHEMBL4324657

CCOCc1nc2cnc3cccnc3c2n1CCCCSC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TLR8 Q9NR97 8/20 0.35
TLR7 Q9NYK1 9/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NUDT1 P36639 1/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL4324738 0.88 TP53 (0.38) TLR7RAB9AATMLMNASMN1; SMN2
SCHEMBL4324653 0.87 KDM4E (0.36) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL4308948 0.87 TLR8 (0.41) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL4314466 0.86 TLR7 (0.41) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL5617025 0.85 TLR8 (0.38) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL5617287 0.85 TLR7 (0.38) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL5617162 0.85 TLR8 (0.39) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL4793561 0.84 ALDH1A1 (0.40) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL4310319 0.84 TLR8 (0.39) TLR8TLR7MEN1KMT2ANUDT1
SCHEMBL5616310 0.84 ALDH1A1 (0.42) TLR8TLR7MEN1KMT2ANUDT1

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-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG HDAC4 593/4885HDAC1 872/4885HDAC6 263/4885

“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.