SCHEMBL5545835

SCHEMBL5545835

CN(C)CCCOC(=O)c1cc(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 3/20 0.66
HSD17B10 Q99714 3/20 0.66
USP2 O75604 2/20 0.66
LMNA P02545 2/20 0.66
HPGD P15428 2/20 0.66
HIF1A Q16665 2/20 0.66
SLC6A4 P31645 1/20 0.66
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
SLC12A2 P55011 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AQP1 P29972 1/20 0.37

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
SCHEMBL30754392 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL230188 0.85 KDM4E (0.68) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL232305 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL230518 0.84 LMNA (0.75) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL230205 0.83 LMNA (0.74) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL230185 0.83 ALDH1A1 (0.80) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL29436032 0.82 KDM4E (0.61) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL230563 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL29436053 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL29436045 0.82 LMNA (0.66) ALDH1A1KDM4EHSD17B10USP2LMNA

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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 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 (3 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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 835/4885KDM4E 2426/4885HSD17B10 1162/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 835/4885KDM4E 2426/4885HSD17B10 1162/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 ALDH1A1 687/4885KDM4E 3557/4885HSD17B10 357/4885

“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.