Sugi Predict

Sugi Predict / Compounds / SCHEMBL22746498

SCHEMBL22746498

SCHEMBL22746498

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 16/20 0.84
▸ ADORA3 P0DMS8 4/20 0.72
▸ CACNA1C Q13936 4/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ NR1I2 O75469 2/20 0.72
▸ NR3C1 P04150 2/20 0.72
▸ PDE4D Q08499 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ MLNR O43193 1/20 0.72
▸ CACNA1H O95180 1/20 0.72
▸ TBXA2R P21731 1/20 0.72
▸ HTT P42858 1/20 0.72
▸ SLC29A1 Q99808 1/20 0.72
▸ ABCC4 O15439 2/20 0.60
▸ CACNA1F O60840 2/20 0.60
▸ ABCB11 O95342 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ ADORA2A P29274 2/20 0.60
▸ ADORA1 P30542 2/20 0.60

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
SCHEMBL22746500 0.93 CACNA1B (0.73) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL10719900 0.93 CACNA1B (0.87) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL10719905 0.93 CACNA1B (0.87) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL5855155 0.92 CACNA1B (1.00) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL5855159 0.92 CACNA1B (1.00) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL5855163 0.92 CACNA1B (1.00) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL27014861 0.91 CACNA1B (0.81) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL5854797 0.90 CACNA1B (0.80) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL5854804 0.90 CACNA1B (0.80) CACNA1BADORA3CACNA1CKMT2ANR1I2
SCHEMBL29684455 0.88 CACNA1C (0.76) CACNA1BADORA3CACNA1CKMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016787-A1 METHODS FOR TREATMENT OF CANCER AND PHAGOCYTOSIS-DEFICIENCY RELATED DISEASES Rdiscovery, LLC (US) 2024-01-18 — — US disclosed
US-20240016787-A1 METHODS FOR TREATMENT OF CANCER AND PHAGOCYTOSIS-DEFICIENCY RELATED DISEASES Rdiscovery, LLC (US) 2024-01-18 — — US disclosed
US-20220169613-A1 Drp1-FILAMIN COMPLEX FORMATION INHIBITORS Rdiscovery, LLC 2022-06-02 — — US disclosed
WO-2022098642-A1 THERAPIES FOR TREATMENT OF CANCER AND PHAGOCYTOSIS-DEFICIENCY RELATED DISEASES Rdiscovery, LLC (US) 2022-05-12 — — WO disclosed
WO-2020241638-A1 Drp1-FILAMIN COMPLEX FORMATION INHIBITORS KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-03 — — WO 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-20220169613-A1 Drp1-FILAMIN COMPLEX FORMATION INHIBITORS FIS1, DNM1L, DNM1 CACNA1B 494/4885ADORA3 4611/4885CACNA1C 758/4885
US-20240016787-A1 METHODS FOR TREATMENT OF CANCER AND PHAGOCYTOSIS-DEFICIENCY RELATED DISEASES MFN2, DNM1L, DNM1 CACNA1B 3651/4885ADORA3 3702/4885CACNA1C 4180/4885

“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.