SCHEMBL10025538

SCHEMBL10025538

CN(CCCOc1ccc2nc3n(c2c1)CC(CN1CCCCC1)CN3)Cc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
HRH3 Q9Y5N1 9/20 0.33
HRH1 P35367 3/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 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
SCHEMBL10025541 0.88 ATM (0.39) ATMTSHRPDE3BPDE3AHRH1
SCHEMBL10025537 0.86 NPC1 (0.35) NPC1TSHRRAB9APDE3BPDE3A
SCHEMBL10025536 0.86 HRH3 (0.43) NPC1TSHRRAB9APDE3BPDE3A
SCHEMBL10058278 0.84 ACHE (0.34) ATMTSHRALDH1A1DRD2DRD3
SCHEMBL10025543 0.75 TLR7 (0.34) PDE3BPDE3A
SCHEMBL10025542 0.74 MAPKAPK2 (0.36) TSHRPDE3BPDE3AHRH1LTA4H
SCHEMBL10025535 0.74 KCNA5 (0.35) PDE3BPDE3AHRH3HRH1DRD2
SCHEMBL6743257 0.73 PPARG (0.32) PDE3BPDE3AHRH3ACHE
SCHEMBL5904069 0.73 HRH3 (0.47) HRH3HRH1LTA4HCYP2D6SIGMAR1
SCHEMBL10025466 0.73 FGFR1 (0.39) PDE3BPDE3AHRH3ALDH1A1DRD2

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 4 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
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 ATM 4810/4885NPC1 666/4885TSHR 2805/4885

“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.