SCHEMBL21453313

SCHEMBL21453313

CCCCNc1cc(C(O)OC)sc1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SLC12A2 P55011 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AQP1 P29972 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ PTGS2 P35354 6/20 0.36
▸ LTA4H P09960 2/20 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
SCHEMBL22922701 0.78 HPGD (0.49) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL21436379 0.77 KDM4E (0.51) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL22922705 0.75 CA2 (0.54) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL21453448 0.75 ALDH1A1 (0.42) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL22922704 0.69 HPGD (0.41) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL21436493 0.69 HPGD (0.41) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL21436494 0.69 HPGD (0.41) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL21019020 0.65 KDM4E (0.72) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL9836580 0.64 ALDH1A1 (0.53) ALDH1A1NPSR1LMNAKDM4EUSP2
SCHEMBL2741861 0.64 KDM4E (0.72) ALDH1A1NPSR1LMNAKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019193159-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Universität Wien (AT) 2019-10-10 — — WO disclosed
US-20160184465-A1 METHOD FOR PRODUCTION OF F-18 LABELED AMYLOID BETA LIGANDS PIRAMAL IMAGING SA (CH) 2016-06-30 — — 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-20160184465-A1 METHOD FOR PRODUCTION OF F-18 LABELED AMYLOID BETA LIGANDS APP, APBA1, BACE1 ALDH1A1 3739/4885NPSR1 490/4885LMNA 2057/4885

“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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