SCHEMBL10025545

SCHEMBL10025545

CN(C)CC1CNc2nc3ccc(OCCCN(C)Cc4cccc(Br)n4)cc3n2C1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.31
PPARG P37231 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TLR7 Q9NYK1 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ACHE P22303 2/20 0.31
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
PARP1 P09874 1/20 0.30
BCHE P06276 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
SCHEMBL10025535 0.90 KCNA5 (0.35) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL10025466 0.85 FGFR1 (0.39) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL6743257 0.84 PPARG (0.32) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL10025540 0.84 PDE3B (0.33) PPARGPDE3BPDE3ATLR7KDM4E
SCHEMBL10025539 0.83 PPARG (0.33) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL10025541 0.83 ATM (0.39) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL10025542 0.83 MAPKAPK2 (0.36) HTR6PPARGPDE3BPDE3ATLR7
SCHEMBL10025544 0.82 MAPKAPK2 (0.38) PPARGPDE3BPDE3ATLR7KDM4E
SCHEMBL10025543 0.81 TLR7 (0.34) PDE3BPDE3ATLR7
SCHEMBL10059137 0.80 ACSS2 (0.39) PDE3BPDE3AKDM4E

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 HTR6 3492/4885PPARG 3180/4885PDE3B 2301/4885

“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.