SCHEMBL29953604

SCHEMBL29953604

CN(C)C(=O)COCC(C)(C)c1ccc2c(I)cnn2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIN2B Q13224 2/20 0.31
GRIN1 Q05586 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL22727001 0.87 MEN1 (0.36) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL29954059 0.84 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL22726526 0.79 CCR9 (0.33)
SCHEMBL22726529 0.76 CNR1 (0.31)
SCHEMBL29953404 0.73
SCHEMBL22726968 0.72 MAP4K4 (0.37) CYP11B1CYP11B2
SCHEMBL29503867 0.71 MAPT (0.40) KMT2A
SCHEMBL22726999 0.71 ESR1 (0.33) CYP11B1CYP11B2
SCHEMBL22726592 0.71
SCHEMBL22726591 0.71 HSD11B1 (0.33) ALDH1A1NPSR1

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-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G MEN1 1419/4885ALDH1A1 1696/4885MAPK1 3390/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A MEN1 2969/4885ALDH1A1 1043/4885MAPK1 3698/4885

“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.