SCHEMBL25599470

SCHEMBL25599470

CC(C)n1ncnc1-c1cc(F)ccc1Oc1cnc[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.35
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
BRD4 O60885 3/20 0.32
PIK3CA P42336 2/20 0.30

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
SCHEMBL25599468 0.86 GABRG2 (0.37) SCN9AGABRG2GABRB3GABRA5BRD4
SCHEMBL25599512 0.81 HTR2A (0.35) SCN9ABRD4
SCHEMBL30591239 0.77 SCN9A (0.35) SCN9AGABRG2GABRB3GABRA5BRD4
SCHEMBL25599471 0.77 SCN9A (0.35) SCN9AGABRG2GABRB3GABRA5BRD4
SCHEMBL25599466 0.76 HTR2A (0.41) PIK3CA
SCHEMBL30591217 0.76 HTR2A (0.41) PIK3CA
SCHEMBL30591166 0.76 ALOX5AP (0.37) SCN9AGABRG2GABRB3GABRA5PIK3CA
SCHEMBL25599510 0.70 SCN9A (0.40) SCN9A
SCHEMBL19693521 0.69 MEN1 (0.40)
SCHEMBL29519464 0.69 MEN1 (0.40)

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-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS LTD. (KY) 2024-09-26 US disclosed
WO-2023098876-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2023-06-08 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 (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-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE SDHA, PDHA1, GLS SCN9A 1269/4885GABRG2 211/4885GABRB3 248/4885

“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.