SCHEMBL3498232

SCHEMBL3498232

CN(CCCOc1ccc2nc(N)n(CCCN3CCCC3)c2c1)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 10/20 0.40
MET P08581 1/20 0.40
TLR9 Q9NR96 1/20 0.39
KCNH2 Q12809 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
NPY1R P25929 1/20 0.38
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL3631276 0.90 DRD2 (0.42) NPC1TSHRRAB9AHRH3MET
SCHEMBL10025562 0.88 HRH3 (0.42) TSHRHRH3KCNH2
SCHEMBL10025563 0.83 NPC1 (0.42) NPC1TSHRRAB9AHRH3TLR9
SCHEMBL10058262 0.81 TLR8 (0.36) TSHRDRD2DRD3
SCHEMBL3574672 0.80 HRH3 (0.52) NPC1TSHRRAB9AHRH3TLR9
SCHEMBL3499273 0.75 TLR7 (0.50) HRH3DRD2DRD3
SCHEMBL10025537 0.74 NPC1 (0.35) NPC1TSHRRAB9AHRH3KCNH2
SCHEMBL30886384 0.74 TLR8 (0.48) DRD2DRD3
SCHEMBL10025467 0.74 TLR8 (0.48) DRD2DRD3
Ammonia Solution, Strong SCHEMBL3631279 0.73 TGFBR1 (0.46) HRH3METACHE

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-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 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 (2 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
US-20050124638-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.