SCHEMBL25833906

SCHEMBL25833906

CCCn1nc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 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
SCHEMBL3812369 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL31497500 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL611860 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPOLB
Hydrochloric Acid SCHEMBL29624968 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL25888932 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL25509745 0.84 HTT (0.43) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL21960356 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL23563104 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL21963075 0.82 MITF (0.49) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL21960987 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTPOLB

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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 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-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 ALDH1A1 649/4885MEN1 4064/4885KMT2A 4240/4885

“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.