SCHEMBL6497458

SCHEMBL6497458

CCOC(=O)CCCOc1cc(C)c(N)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
PDK2 Q15119 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
TNF P01375 1/20 0.41
LTA4H P09960 2/20 0.40
FAAH O00519 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL8409294 0.83 BRD4 (0.45) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL6492212 0.82 MAPT (0.46) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL6491695 0.82 HPGD (0.48) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL4389091 0.79 BRD4 (0.53) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL6491379 0.78 BRD4 (0.42) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL21533500 0.78 BRD4 (0.64) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL14832413 0.77 BRD4 (0.47) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL5359909 0.76 MAPT (0.45) LTA4HMCL1L3MBTL1MEN1KMT2A
SCHEMBL29198000 0.76 BRD4 (0.51) BRD4CYP1A2CYSLTR2CYSLTR1PDK2
SCHEMBL3267566 0.76 BRD4 (0.54) BRD4CYP1A2CYSLTR2CYSLTR1LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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 (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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD BRD4 130/4885CYP1A2 247/4885CYSLTR2 2679/4885

“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.