SCHEMBL25826515

SCHEMBL25826515

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
TXNRD1 Q16881 5/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL3768551 0.85 MAPT (0.42) NPSR1HTTGSTP1GSTM2TXNRD1
SCHEMBL27138016 0.80 TXNRD1 (0.35) NPSR1TXNRD1MAPTLMNA
SCHEMBL3776749 0.80 PAX8 (0.35) NPSR1ALDH1A1HTTGSTP1GSTM2
SCHEMBL31052537 0.79 BACE1 (0.36) BACE1LMNASSTR4
SCHEMBL31052536 0.79 BACE1 (0.36) BACE1LMNASSTR4
SCHEMBL24549805 0.79 KCNH2 (0.33) NPSR1ALDH1A1HTTMAPTLMNA
SCHEMBL24549830 0.79 BACE1 (0.35) BACE1NPSR1ALDH1A1HTTMAPT
SCHEMBL22504098 0.78 KMT2A (0.41) NPSR1ALDH1A1TXNRD1MAPTRAB9A
SCHEMBL31052514 0.78 BACE1 (0.37) BACE1NPC1RAB9ALMNASSTR4
SCHEMBL31719744 0.77 L3MBTL1 (0.34) HTTKCNH2

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR BACE1 2544/4885NPSR1 4298/4885ALDH1A1 4544/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR BACE1 2689/4885NPSR1 4243/4885ALDH1A1 4541/4885

“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.