SCHEMBL25316013

SCHEMBL25316013

COCCOC(=O)c1cc([N+](=O)[O-])nn1CCOC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL25313659 0.85 HTT (0.43) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL25833906 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL22421098 0.77 HTT (0.41) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL25427554 0.77 CNR1 (0.39) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL23563104 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL20555764 0.76 HTT (0.50) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL611860 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL31497500 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPOLB
Hydrochloric Acid SCHEMBL29624968 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL19635551 0.75 KDM4E (0.39) ALDH1A1MEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO 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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR ALDH1A1 3526/4885MEN1 985/4885KMT2A 1707/4885

“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.