SCHEMBL10058262

SCHEMBL10058262

CCCC(C)N(CC)CCCn1c(N)nc2ccc(OCCCN(C)Cc3ccccn3)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
KCNA5 P22460 1/20 0.34
CXCL8 P10145 1/20 0.34
NOD1 Q9Y239 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
S1PR3 Q99500 2/20 0.34
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ACSS2 Q9NR19 1/20 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
SCHEMBL3498232 0.81 NPC1 (0.42) DRD2DRD3TSHR
SCHEMBL10025562 0.76 HRH3 (0.42) BACE1KDM4EALDH1A1TSHR
SCHEMBL3631276 0.75 DRD2 (0.42) DRD2DRD3KCNA5TSHR
SCHEMBL3499273 0.73 TLR7 (0.50) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL10025467 0.73 TLR8 (0.48) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL30886384 0.73 TLR8 (0.48) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL10025566 0.70 TLR7 (0.40) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL23102167 0.70 TLR8 (0.47) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL3503268 0.67 ACSS2 (0.47) TLR8DRD2DRD3CXCL8NOD1
SCHEMBL10025535 0.66 KCNA5 (0.35) DRD2DRD3KCNA5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TLR8 4042/4885DRD2 2179/4885DRD3 1322/4885

“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.