SCHEMBL29540906

SCHEMBL29540906

O=C1NC(=O)c2cc3ccccc3cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.62
MAOB P27338 7/20 0.60
MAOA P21397 6/20 0.60
PARP1 P09874 1/20 0.56
CASP7 P55210 2/20 0.52
CASP3 P42574 1/20 0.52
CASP2 P42575 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 2/20 0.52
SRC P12931 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RGS12 O14924 1/20 0.52
GMNN O75496 1/20 0.52

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
SCHEMBL699461 1.00 GSK3B (0.62) GSK3BMAOBMAOAPARP1CASP7
SCHEMBL29783117 1.00 GSK3B (0.62) GSK3BMAOBMAOAPARP1CASP7
SCHEMBL5838151 0.97 GSK3B (0.59) GSK3BMAOBMAOAPARP1CASP7
SCHEMBL3085755 0.95 GSK3B (0.56) GSK3BMAOBMAOAPARP1CASP7
SCHEMBL18908888 0.84 PARP1 (0.57) GSK3BMAOBMAOAPARP1CASP7
SCHEMBL17346927 0.83 ACVR1 (0.50) GSK3BMAOBMAOAPARP1CASP7
Phthalimide SCHEMBL28134165 0.81 GSK3B (0.83) GSK3BMAOBMAOAPARP1CASP7
Phthalimide SCHEMBL64 0.77 GSK3B (1.00) GSK3BMAOBMAOAPARP1CASP7
Phthalimide SCHEMBL11040503 0.77 GSK3B (1.00) GSK3BMAOBMAOAPARP1CASP7
Phthalimide SCHEMBL29366030 0.77 GSK3B (1.00) GSK3BMAOBMAOAPARP1CASP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 US disclosed
CN-112673011-B Polymer for use in electronic devices 杜邦电子公司 2024-08-06 CN disclosed
CN-115677442-B Method for synthesizing alkylaryl alkyne compound by photocatalysis 化学与精细化工广东省实验室 2024-05-10 CN disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 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-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 GSK3B 288/4885MAOB 2406/4885MAOA 1833/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 GSK3B 288/4885MAOB 2406/4885MAOA 1833/4885

“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.