SCHEMBL5120916

SCHEMBL5120916

CCCCS(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCO1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.63
KCNH2 Q12809 1/20 0.47
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL584406 0.86 CNR2 (0.66) CNR2KCNH2CNR1
SCHEMBL4966183 0.83 CNR2 (0.64) CNR2KCNH2CNR1
SCHEMBL14074475 0.83 CNR2 (0.64) CNR2KCNH2CNR1
SCHEMBL583995 0.83 CNR2 (0.65) CNR2KCNH2CNR1
SCHEMBL584053 0.81 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL4000595 0.81 CNR2 (0.94) CNR2KCNH2CNR1
SCHEMBL585235 0.80 CNR2 (0.68) CNR2KCNH2CNR1
Hydrochloric Acid SCHEMBL4002500 0.80 CNR2 (0.92) CNR2KCNH2CNR1
SCHEMBL4967777 0.79 CNR2 (0.56) CNR2KCNH2CNR1
SCHEMBL584412 0.79 CNR2 (0.72) CNR2KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 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-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 CNR2 691/4885KCNH2 262/4885CNR1 689/4885

“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.