SCHEMBL10025537

SCHEMBL10025537

CN(CCCOc1ccc2nc3n(c2c1)CC(CN1CCCCC1)CN3)Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
HRH3 Q9Y5N1 10/20 0.34
HRH1 P35367 4/20 0.34
DRD2 P14416 3/20 0.34
DRD1 P21728 3/20 0.34
DRD5 P21918 3/20 0.34
DRD3 P35462 3/20 0.34
KCNH2 Q12809 1/20 0.33
ACHE P22303 2/20 0.33
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL10025535 0.88 KCNA5 (0.35) PDE3BPDE3AHRH3HRH1DRD2
SCHEMBL10025536 0.87 HRH3 (0.43) NPC1TSHRRAB9APDE3BPDE3A
SCHEMBL10025538 0.86 ATM (0.37) NPC1TSHRRAB9APDE3BPDE3A
SCHEMBL6743257 0.75 PPARG (0.32) PDE3BPDE3AHRH3ACHE
SCHEMBL10025466 0.74 FGFR1 (0.39) PDE3BPDE3AHRH3DRD2DRD3
SCHEMBL3498232 0.74 NPC1 (0.42) NPC1TSHRRAB9AHRH3DRD2
SCHEMBL10025539 0.74 PPARG (0.33) PDE3BPDE3AACHE
SCHEMBL10025541 0.74 ATM (0.39) TSHRPDE3BPDE3AHRH1ALDH1A1
SCHEMBL10025544 0.73 MAPKAPK2 (0.38) PDE3BPDE3AHRH3HRH1ACHE
SCHEMBL10025543 0.72 TLR7 (0.34) PDE3BPDE3A

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 6 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-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-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
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 NPC1 666/4885TSHR 2805/4885RAB9A 2724/4885

“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.