SCHEMBL3823319

SCHEMBL3823319

CN(C)c1cccc2c(S(=O)(=O)NCCCCn3cnc4c(N)nc5c(c43)CCCC5)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.46
HTR1A P08908 3/20 0.45
GLB1 P16278 3/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GBA1 P04062 2/20 0.42
HTR6 P50406 3/20 0.42

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
SCHEMBL14516489 0.89 HTR7 (0.47) HTR1ACYP3A4CYP2C19HSD17B10HTR6
SCHEMBL3815706 0.85 HTR1A (0.47) FUCA1HTR1AGLB1NPC1TP53
SCHEMBL727248 0.83 HTR7 (0.52) HTR1ATSHRHTR6MEN1ALDH1A1
SCHEMBL3834904 0.83 FUCA1 (0.43) FUCA1HTR1AGLB1NPC1TP53
SCHEMBL3813392 0.82 HTR1A (0.44) FUCA1HTR1AGLB1NPC1TP53
SCHEMBL3814549 0.81 HTR1A (0.32) HTR1A
SCHEMBL3814425 0.81 BCHE (0.44) HTR1AHTR6ALDH1A1LMNASMN1; SMN2
SCHEMBL14516490 0.79 TLR7 (0.41) NPC1CYP3A4THPORAB9AALDH1A1
SCHEMBL14516484 0.79 BCHE (0.49) HTR1AMEN1ALDH1A1LMNAKMT2A
SCHEMBL14516481 0.79 BCHE (0.40) ALDH1A1LMNASMN1; SMN2

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 5 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
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US 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-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 FUCA1 1953/4885HTR1A 4332/4885GLB1 3771/4885

“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.