SCHEMBL3498559

SCHEMBL3498559

CN(C)CCCn1c(N)nc2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
FGFR1 P11362 2/20 0.44
SRC P12931 1/20 0.44
ACHE P22303 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL10025467 0.86 TLR8 (0.48) ALDH1A1KDM4EFGFR1SRCKMT2A
SCHEMBL30886384 0.86 TLR8 (0.48) ALDH1A1KDM4EFGFR1SRCKMT2A
SCHEMBL3574672 0.86 HRH3 (0.52) NPC1TSHRRAB9AACHEHRH3
SCHEMBL23102167 0.85 TLR8 (0.47) FGFR1SRCKMT2ALMNA
SCHEMBL3503268 0.82 ACSS2 (0.47) TSHRFGFR1SRCKMT2APDE2A
SCHEMBL3499273 0.82 TLR7 (0.50) FGFR1SRCKMT2AHRH3
SCHEMBL3498283 0.79 TLR8 (0.49) ALDH1A1KDM4EHTR2A
SCHEMBL3498573 0.76 BRD4 (0.47) BRD4CREBBP
SCHEMBL10025566 0.76 TLR7 (0.40) ALDH1A1KDM4EFGFR1SRCKMT2A
SCHEMBL10025565 0.73 UTS2R (0.50) ACHEBCHEMAOB

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-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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 WO 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 (3 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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L NPC1 666/4885ALDH1A1 2763/4885KDM4E 2466/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L NPC1 666/4885ALDH1A1 2763/4885KDM4E 2466/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L NPC1 666/4885ALDH1A1 2763/4885KDM4E 2466/4885

“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.