SCHEMBL19300170

SCHEMBL19300170

CCCCN(CCCC)c1cc(C(=O)NCc2ccccn2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ AQP1 P29972 1/20 0.49
▸ CA2 P00918 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SLC12A2 P55011 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ PTGS2 P35354 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 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
SCHEMBL18993674 0.92 AQP1 (0.49) HPGDHSD17B10MAPK14AQP1CA2
SCHEMBL2741904 0.88 CA2 (0.52) HPGDHSD17B10MAPK14AQP1CA2
SCHEMBL2741901 0.87 CA2 (0.54) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL2741903 0.86 CA2 (0.56) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL2741900 0.86 CA2 (0.58) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL18993682 0.85 AQP1 (0.49) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL2741897 0.85 CA2 (0.55) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL18993646 0.85 HPGD (0.47) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL574275 0.84 CA2 (0.54) HPGDHSD17B10AQP1CA2LMNA
SCHEMBL2741899 0.84 CA2 (0.54) HPGDHSD17B10AQP1CA2LMNA

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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — 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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HPGD 1373/4885HSD17B10 1264/4885MAPK14 4661/4885

“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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