SCHEMBL25009207

SCHEMBL25009207

CC(C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
ALDH1A1 P00352 11/20 0.66
KDM4E B2RXH2 9/20 0.66
GAA P10253 5/20 0.66
HPGD P15428 7/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
NPSR1 Q6W5P4 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL25010542 0.87 POLB (0.60) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL25009690 0.86 MAPT (0.60) POLBMAPTNAMPT
SCHEMBL19001281 0.84 ALDH1A1 (0.69) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19001178 0.82 POLB (0.60) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL12578243 0.81 ALDH1A1 (0.69) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL25009417 0.81 ALDH1A1 (0.76) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL20467410 0.81 ALDH1A1 (0.81) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL20467545 0.80 ALDH1A1 (0.79) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL9823141 0.79 ALDH1A1 (0.76) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL21843716 0.79 ALDH1A1 (0.71) POLBALDH1A1KDM4EGAAHPGD

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 POLB 47/4885ALDH1A1 4286/4885KDM4E 2556/4885

“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.