SCHEMBL21946641

SCHEMBL21946641

COC(=O)[C@H](N)Cc1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.40
PTGS2 P35354 1/20 0.40
ACACB O00763 2/20 0.40
AAK1 Q2M2I8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL1124429 1.00 MEN1 (0.42) MEN1KMT2AHSD17B10ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL20502547 0.98 ALDH1A1 (0.42) MEN1KMT2AHSD17B10ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL31752348 0.98 ALDH1A1 (0.42) MEN1KMT2AHSD17B10ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL31753224 0.89 ALDH1A1 (0.40) MEN1KMT2AHSD17B10ALDH1A1PTGS2
SCHEMBL3898092 0.87 ALDH1A1 (0.39) MEN1KMT2AHSD17B10ALDH1A1ACACB
SCHEMBL3898104 0.87 ALDH1A1 (0.39) MEN1KMT2AHSD17B10ALDH1A1ACACB
SCHEMBL3628791 0.84 MKNK1 (0.45) ALDH1A1PTGS2ACACBAAK1
SCHEMBL14713190 0.84 MKNK1 (0.45) ALDH1A1PTGS2ACACBAAK1
SCHEMBL25353489 0.83 GRIA1 (0.49) HSD17B10PTGS2
SCHEMBL21946640 0.83 GRIA1 (0.49) HSD17B10PTGS2

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 MEN1 888/4885KMT2A 4501/4885HSD17B10 1789/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 MEN1 1001/4885KMT2A 4408/4885HSD17B10 2652/4885

“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.