SCHEMBL3814549

SCHEMBL3814549

CN(C)c1cccc2c(S(N)(=O)=O)c(CCCCn3cnc4c(N)nc5c(c43)CCCC5)ccc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 3/20 0.31
CHRNE Q04844 1/20 0.31
EDNRA P25101 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
SCHEMBL3813409 0.85 TLR7 (0.46) CA2
SCHEMBL3820918 0.83 TLR7 (0.42)
SCHEMBL3813387 0.82 TLR7 (0.38)
SCHEMBL3823319 0.81 FUCA1 (0.46) HTR1A
SCHEMBL3814421 0.79 HTR1A (0.33) HTR1AACHECHRNE
SCHEMBL727204 0.77 KDM4E (0.31)
SCHEMBL5746870 0.74 BCHE (0.35) HTR1AACHECHRNE
SCHEMBL727247 0.74 CA1 (0.33) HTR1ACA2
SCHEMBL14516489 0.71 HTR7 (0.47) HTR1AACHE
SCHEMBL14516490 0.70 TLR7 (0.41) CA2ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642580-B1 Sulfonamide substituted imidazoquinolines COLEY PHARM GROUP INC (US) 2009-08-19 EP claimed
US-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-12 US claimed
US-6331539-B1 INDUCE BIOSYNTHESIS OF INTERFERON ALPHA IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2001-12-18 US claimed

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-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HTR1A 4332/4885CA2 2521/4885ACHE 4828/4885

“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.