SCHEMBL25010486

SCHEMBL25010486

CCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
ALDH1A1 P00352 1/20 0.77
GAA P10253 1/20 0.77
HPGD P15428 1/20 0.77
NAMPT P43490 17/20 0.69
MAPT P10636 1/20 0.64

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
SCHEMBL25009198 0.90 NAMPT (0.67) KDM4EALDH1A1GAAHPGDNAMPT
SCHEMBL25009235 0.88 MAPT (0.68) NAMPTMAPT
SCHEMBL25011160 0.87 NAMPT (0.63) KDM4EALDH1A1GAAHPGDNAMPT
SCHEMBL20467544 0.87 ALDH1A1 (1.00) KDM4EALDH1A1GAAHPGDNAMPT
SCHEMBL25009228 0.87 NAMPT (0.65) NAMPTMAPT
SCHEMBL25009411 0.87 NAMPT (0.65) NAMPTMAPT
SCHEMBL25011176 0.85 NAMPT (0.66) NAMPT
SCHEMBL25010265 0.85 NAMPT (0.66) NAMPTMAPT
SCHEMBL23416320 0.84 MAPT (0.63) NAMPTMAPT
SCHEMBL25011165 0.83 NAMPT (0.79) KDM4EALDH1A1GAAHPGDNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 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 (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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 KDM4E 2556/4885ALDH1A1 4286/4885GAA 403/4885

“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.