SCHEMBL23055374

SCHEMBL23055374

O=C1/C(=C2/COCCCN2)c2cc([N+](=O)[O-])ccc2N1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ACHE P22303 2/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23055852 0.94 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055863 0.90 DDB1 (0.39) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055526 0.89 DDB1 (0.35) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055535 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055606 0.86 DDB1 (0.39) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055517 0.85 CASP1 (0.36) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055508 0.84 CASP1 (0.36) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055389 0.84 ALDH1A1 (0.33) ALDH1A1DDB1CRBNCASP1CASP7
SCHEMBL23055874 0.84 DDB1 (0.35) ALDH1A1SMN1; SMN2MAPTDDB1CRBN
SCHEMBL23055861 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTDDB1CRBN

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-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 ALDH1A1 1006/4885SMN1; SMN2 2091/4885MAPT 2505/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 ALDH1A1 1006/4885SMN1; SMN2 2091/4885MAPT 2505/4885

“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.