SCHEMBL16581063

SCHEMBL16581063

CCCCNc1cc(C(C)=O)cc(S(N)(=O)=O)c1Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ SLC12A2 P55011 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ AQP1 P29972 1/20 0.50
▸ PTGS2 P35354 3/20 0.49
▸ CISD1 Q9NZ45 7/20 0.47
▸ CA1 P00915 6/20 0.42
▸ CA12 O43570 5/20 0.42
▸ CA3 P07451 4/20 0.42
▸ CA6 P23280 4/20 0.42
▸ CA5A P35218 4/20 0.42

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
SCHEMBL2741842 0.92 CA2 (0.66) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL16581178 0.89 CA2 (0.53) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL11853823 0.87 HPGD (0.54) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL11780993 0.84 CA2 (0.56) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL11783535 0.84 CA2 (0.58) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL16581037 0.82 CA2 (0.58) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL2742069 0.80 KDM4E (0.86) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL16581252 0.80 CA2 (0.55) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL16581064 0.78 CISD1 (0.56) CA2HPGDKDM4EUSP2ALDH1A1
SCHEMBL16581179 0.78 CA2 (0.52) CA2HPGDKDM4EUSP2ALDH1A1

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
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — US disclosed
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 — — 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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 1422/4885HPGD 1748/4885KDM4E 3717/4885

“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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