SCHEMBL23964474

SCHEMBL23964474

[N-]=[N+]=NCCOCCOCCOc1cc(O)cc2oc(=O)cc(-c3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.51
▸ ABCG2 Q9UNQ0 8/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41
▸ SORD Q00796 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL23964475 0.86 ABCG2 (0.56) MAP1LC3BABCG2ALDH1A1MAPTMAPK1
SCHEMBL23964527 0.85 MAP1LC3B (0.56) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL23964460 0.81 MAP1LC3B (0.54) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL30109506 0.77 MAP1LC3B (0.57) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL23930263 0.77 MAP1LC3B (0.57) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL31282263 0.76 ALDH1A1 (0.56) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL13742045 0.71 BLM (0.49) ABCG2ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL21648249 0.70 MAP1LC3B (0.74) MAP1LC3BABCG2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3787335 0.69 MAP1LC3B (1.00) MAP1LC3BABCG2ALDH1A1MAPTSMN1; SMN2
SCHEMBL23964326 0.69 MAP1LC3B (0.44) MAP1LC3BALDH1A1MAPTSMN1; SMN2HSD17B10

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-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES FUDAN UNIVERSITY (CN) 2023-06-15 — — US disclosed
US-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES FUDAN UNIVERSITY (CN) 2023-06-15 — — US disclosed
WO-2021213518-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES 复旦大学 (CN) 2021-10-28 — — 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-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES MAP1LC3B, MAP1LC3A, SQSTM1 MAP1LC3B 1/4885ABCG2 892/4885ALDH1A1 897/4885

“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.

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