SCHEMBL20550451

SCHEMBL20550451

CC=CC=C(C=CC(CCCC)C(N)=O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
EPHX1 P07099 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
SCHEMBL20550450 1.00 CA1 (0.37) CA1CA2ACHEBACE1EPHX1
SCHEMBL17768031 0.79 CA2 (0.43) CA1CA2ACHEBACE1EPHX1
SCHEMBL16754663 0.79 CA2 (0.43) CA1CA2ACHEBACE1EPHX1
Hydrochloric Acid SCHEMBL20550683 0.77 CA2 (0.42) CA1CA2ACHEBACE1EPHX1
Hydrochloric Acid SCHEMBL20550684 0.77 CA2 (0.42) CA1CA2ACHEBACE1EPHX1
SCHEMBL20550608 0.74 FPR2 (0.39) CA1CA2ACHEBACE1EPHX1
SCHEMBL20550607 0.74 FPR2 (0.39) CA1CA2ACHEBACE1EPHX1
SCHEMBL29152379 0.72 FAAH (0.49)
SCHEMBL433771 0.72 FAAH (0.49)
SCHEMBL433772 0.72 FAAH (0.49)

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP claimed
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA1 4563/4885CA2 4152/4885ACHE 2300/4885

“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.