SCHEMBL24925804

SCHEMBL24925804

C[C@@H](I)C(=O)N[C@H](CO)c1cccc(N(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.44
ACACB O00763 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR88 Q9GZN0 2/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18793899 0.87 MAPK1 (0.46) MAPK1ACACBGPR88XIAPBIRC2
SCHEMBL29675377 0.84 ACACB (0.46) MAPK1ACACBSMN1; SMN2KMT2A
SCHEMBL23343856 0.82 MAPK1 (0.40) MAPK1ACACBSMN1; SMN2
Hydrochloric Acid SCHEMBL29676873 0.81 MAPK1 (0.39) MAPK1ACACBSMN1; SMN2
SCHEMBL29676835 0.78 MAPK1 (0.38) MAPK1ACACBSMN1; SMN2
SCHEMBL20738589 0.74 NCF1 (0.34) ACACB
SCHEMBL24925820 0.74 MAPK1 (0.46) MAPK1
SCHEMBL29676186 0.71 ACACB (0.48) MAPK1ACACB
SCHEMBL29675736 0.70 ACACB (0.40) MAPK1ACACBSMN1; SMN2MEN1KMT2A
SCHEMBL29918423 0.69 MAPK1 (0.57) MAPK1

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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MAPK1 1/4885ACACB 3916/4885SMN1; SMN2 2550/4885

“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.