SCHEMBL27444516

SCHEMBL27444516

COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)/C=C/N(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
MAPT P10636 8/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 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
SCHEMBL30554494 1.00 ALDH1A1 (0.55) ALDH1A1MAPTHTTRAB9AL3MBTL1
SCHEMBL25338029 0.85 ALDH1A1 (0.59) ALDH1A1MAPTHTTRAB9AL3MBTL1
SCHEMBL25338025 0.85 ALDH1A1 (0.59) ALDH1A1MAPTHTTRAB9AL3MBTL1
SCHEMBL4656705 0.83 MAPT (0.56) ALDH1A1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL4656702 0.83 MAPT (0.56) ALDH1A1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL16442406 0.83 MAPT (0.56) ALDH1A1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL1403472 0.82 ALDH1A1 (0.56) ALDH1A1MAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL30203403 0.82 ALDH1A1 (0.56) ALDH1A1MAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL29206929 0.81 L3MBTL1 (0.62) ALDH1A1MAPTHTTRAB9AL3MBTL1
SCHEMBL30407930 0.81 L3MBTL1 (0.62) ALDH1A1MAPTHTTRAB9AL3MBTL1

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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 ALDH1A1 602/4885MAPT 1282/4885HTT 115/4885

“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.