SCHEMBL10059157

SCHEMBL10059157

CN(C)CCCn1c(N)nc2cccc([N+](=O)[O-])c21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
TLR8 Q9NR97 4/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL10059158 0.81 ALDH1A1 (0.57) ALDH1A1TLR8CHRM2CHRM1DRD2
SCHEMBL1982004 0.72 CXCR4 (0.73) TLR8MEN1KMT2APOLBKDM4E
SCHEMBL6118458 0.69 ALDH1A1 (0.67) ALDH1A1POLBLMNASMN1; SMN2MAPT
SCHEMBL10734723 0.68 CHRM2 (0.63) ALDH1A1CHRM2CHRM1DRD2ADRA2B
SCHEMBL5473914 0.68 PRMT5 (0.49) ALDH1A1TLR8CXCR4
SCHEMBL5480685 0.68 TLR8 (0.48) ALDH1A1TLR8POLBLMNANPSR1
SCHEMBL8277808 0.67 ALDH1A1 (0.60) ALDH1A1KMT2APOLBSMN1; SMN2FGFR1
SCHEMBL5465854 0.66 TLR8 (0.66) TLR8POLBCXCR4
SCHEMBL16486613 0.66 TLR8 (0.67) TLR8POLBPABPC1IRAK4CXCR4
SCHEMBL5482661 0.65 CXCR3 (0.53) TLR8DRD2HTR2ALMNASMN1; 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 3 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
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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 ALDH1A1 2763/4885TLR8 4042/4885CHRM2 2988/4885

“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.