SCHEMBL10059158

SCHEMBL10059158

CN(C)CCCn1c(N)nc2c([N+](=O)[O-])cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TLR8 Q9NR97 8/20 0.49
DCTPP1 Q9H773 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
PABPC1 P11940 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL16486613 0.85 TLR8 (0.67) TLR8DCTPP1IRAK4PABPC1POLB
SCHEMBL10059157 0.81 ALDH1A1 (0.77) ALDH1A1TLR8IRAK4PABPC1MEN1
SCHEMBL3498849 0.77 TLR8 (0.73) TLR8MEN1KMT2AADORA2ACXCR4
SCHEMBL1982004 0.72 CXCR4 (0.73) TLR8MEN1POLBKMT2AHTT
SCHEMBL28194826 0.72 PABPC1 (0.49) ALDH1A1TLR8DCTPP1IRAK4PABPC1
SCHEMBL6118179 0.69 DCTPP1 (0.61) ALDH1A1DCTPP1PABPC1MEN1LMNA
SCHEMBL6117870 0.69 DCTPP1 (0.64) ALDH1A1DCTPP1PABPC1LMNASMN1; SMN2
SCHEMBL10738525 0.68 CHRM2 (0.60) ALDH1A1IRAK4PABPC1MEN1LMNA
SCHEMBL6118818 0.67 DCTPP1 (0.54) ALDH1A1DCTPP1PABPC1LMNASMN1; SMN2
SCHEMBL6829860 0.66 DCTPP1 (0.48) ALDH1A1DCTPP1PABPC1MEN1LMNA

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 4042/4885DCTPP1 2881/4885

“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.