SCHEMBL23908278

SCHEMBL23908278

CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C(=O)O)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HCAR3 P49019 2/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.41
CES2 O00748 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL23908280 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL5518041 0.82 ALDH1A1 (0.52) ALDH1A1MAPTHTTHCAR3KMT2A
SCHEMBL5518040 0.82 ALDH1A1 (0.52) ALDH1A1MAPTHTTHCAR3KMT2A
SCHEMBL5697787 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL3491006 0.74 KMT2A (0.59) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL17967396 0.73 ALDH1A1 (0.48) ALDH1A1MAPTHTTHCAR3KMT2A
SCHEMBL7808225 0.72 ALDH1A1 (0.60) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL17070949 0.70 ALDH1A1 (0.46) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL7223000 0.70 L3MBTL1 (0.46) ALDH1A1MAPTTDP1KDM4EKMT2A
SCHEMBL2675557 0.70 TDP1 (0.56) ALDH1A1MAPTHTTTDP1KDM4E

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-11643438-B2 Antimicrobial peptides and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-05-09 US disclosed
US-20210317167-A1 ANTIMICROBIAL PEPTIDES AND METHODS OF USE UNIV OKLAHOMA (US) 2021-10-14 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-11643438-B2 Antimicrobial peptides and methods of use VIP, NISCH, PTMA ALDH1A1 4238/4885MAPT 2187/4885HTT 714/4885
US-20210317167-A1 ANTIMICROBIAL PEPTIDES AND METHODS OF USE VIP, NISCH, PTMA ALDH1A1 4238/4885MAPT 2187/4885HTT 714/4885

“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.