SCHEMBL18993682

SCHEMBL18993682

CCCCN(CCCC)c1cc(C(=O)NCc2cccnc2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 1/20 0.49
▸ CA2 P00918 2/20 0.47
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SLC12A2 P55011 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 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
SCHEMBL21019004 0.92 AQP1 (0.50) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL2741904 0.92 CA2 (0.52) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL18993649 0.85 LMNA (0.46) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL18993684 0.85 CA2 (0.44) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL2741901 0.85 CA2 (0.54) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL19300170 0.85 HPGD (0.50) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL12508001 0.85 AQP1 (0.70) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL29496263 0.85 AQP1 (0.70) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL2741900 0.84 CA2 (0.58) AQP1CA2LMNAALDH1A1TSHR
SCHEMBL2741903 0.84 CA2 (0.56) AQP1CA2LMNAALDH1A1TSHR

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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 — — US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — 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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 AQP1 557/4885CA2 388/4885LMNA 4297/4885

“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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