SCHEMBL10025541

SCHEMBL10025541

CN(C)CC1CNc2nc3ccc(OCCCN(C)Cc4ccco4)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
TLR7 Q9NYK1 4/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HRH1 P35367 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CCR8 P51685 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL10058278 0.90 ACHE (0.34) ATMPOLBALDH1A1TSHRTP53
SCHEMBL10025538 0.88 ATM (0.37) ATMCYP3A4CYP2D6HRH1PDE3B
SCHEMBL10025543 0.86 TLR7 (0.34) TLR7PDE3BPDE3A
SCHEMBL10025542 0.85 MAPKAPK2 (0.36) TLR7CYP3A4CYP2D6HRH1KDM4E
SCHEMBL10025466 0.85 FGFR1 (0.39) TLR7CYP3A4CYP2D6KDM4EPPARG
SCHEMBL10025535 0.85 KCNA5 (0.35) TLR7CYP3A4CYP2D6HRH1KDM4E
SCHEMBL6743257 0.85 PPARG (0.32) TLR7KDM4EPPARGPDE3BPDE3A
SCHEMBL10025540 0.84 PDE3B (0.33) TLR7CYP3A4CYP2D6HRH1KDM4E
SCHEMBL10025539 0.84 PPARG (0.33) TLR7KDM4EPPARGPDE3BPDE3A
SCHEMBL10025545 0.83 HTR6 (0.31) TLR7KDM4EPPARGPDE3BPDE3A

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 ATM 4810/4885TLR7 3231/4885CYP3A4 320/4885

“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.