SCHEMBL21947593

SCHEMBL21947593

COC(=O)[C@H](N)Cc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.54
ALDH1A1 P00352 2/20 0.50
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
GRIA2 P42262 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
ADRB2 P07550 2/20 0.42

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
SCHEMBL7108845 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL3770254 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL28637433 0.84 SLC7A5 (0.54) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL30547274 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL5869551 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL30831490 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL1816260 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL2580149 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL31505896 0.84 GRIA2 (0.56) SLC7A5ALDH1A1NOS3NOS1NOS2
SCHEMBL19699296 0.84 SLC7A5 (0.54) SLC7A5ALDH1A1NOS3NOS1NOS2

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-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 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 (2 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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A SLC7A5 4162/4885ALDH1A1 325/4885NOS3 443/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 SLC7A5 4115/4885ALDH1A1 397/4885NOS3 315/4885

“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.