Sugi Predict

Sugi Predict / Compounds / SCHEMBL20816331

SCHEMBL20816331

SCHEMBL20816331

O=[N+]([O-])c1cc(F)c(F)cc1-n1cccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 3/20 0.57
▸ GRIK2 Q13002 3/20 0.57
▸ GRIK3 Q13003 3/20 0.57
▸ GRIK4 Q16099 3/20 0.57
▸ GRIK5 Q16478 3/20 0.57
▸ GRIA1 P42261 2/20 0.57
▸ GRIA2 P42262 2/20 0.57
▸ GRIA3 P42263 2/20 0.57
▸ GRIA4 P48058 2/20 0.57
▸ MAPT P10636 7/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL30657597 1.00 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL30657596 0.86 GRIK1 (0.51) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL22636744 0.86 GRIK1 (0.51) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL29126967 0.86 GRIK1 (0.51) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL5796819 0.80 MAPT (0.47) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL30657599 0.79 TDP1 (0.55) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL28038249 0.79 TDP1 (0.55) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL20816305 0.79 TDP1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL29048508 0.78 TDP1 (0.57) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL30657605 0.78 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIK4GRIK5

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
CN-117143104-A Pyrrolo [1,2-a ] quinoxaline compound synthesized from nitropyrrole aromatic hydrocarbon and carbon dioxide and synthesis method thereof 陕西科技大学 2023-12-01 — — CN claimed
CN-117143104-A Pyrrolo [1,2-a ] quinoxaline compound synthesized from nitropyrrole aromatic hydrocarbon and carbon dioxide and synthesis method thereof 陕西科技大学 2023-12-01 — — CN disclosed
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 — — US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 — — 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-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 GRIK1 4617/4885GRIK2 4634/4885GRIK3 4604/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 GRIK1 4617/4885GRIK2 4634/4885GRIK3 4604/4885

“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.