SCHEMBL25720359

SCHEMBL25720359

CN(Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL25720326 0.85 HTR6 (0.46) MAPTL3MBTL1NPSR1MAPK1ALDH1A1
SCHEMBL25720363 0.83 CTSL (0.41) L3MBTL1ALDH1A1POLBKMT2AMEN1
SCHEMBL25717381 0.82 MAPT (0.57) MAPTL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL30336821 0.82 MAPT (0.57) MAPTL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL2061458 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL1470808 0.77 HDAC3 (0.47) MAPTL3MBTL1NPSR1ALDH1A1LMNA
SCHEMBL15766953 0.77 LMNA (0.59) MAPTL3MBTL1NPSR1MAPK1ALDH1A1
SCHEMBL3156438 0.77 NR1D1 (0.52) MAPTALDH1A1LMNAGAA
SCHEMBL7164868 0.77 MAPT (0.84) MAPTL3MBTL1NPSR1MAPK1ALDH1A1
SCHEMBL29209507 0.75 KMT2A (0.44) MAPTL3MBTL1MAPK1ALDH1A1LMNA

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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 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 (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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 MAPT 3407/4885L3MBTL1 4116/4885NPSR1 2627/4885

“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.