SCHEMBL19294673

SCHEMBL19294673

O=C(O)c1cc(N[SH](=O)=O)c(Cc2ccccc2)c(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.43
▸ KCNQ2 O43526 6/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ BRPF1 P55201 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL19294670 0.89 KDM4E (0.43) GAAKCNQ2KMT2APKMKDM4E
SCHEMBL16577890 0.78 POLB (0.40) GAAKCNQ2KMT2APKMPOLB
SCHEMBL16577831 0.78 KDM4E (0.60) GAAKMT2APOLBTSHRKDM4E
SCHEMBL11546144 0.76 KDM4E (0.61) GAAKCNQ2KMT2APKMPOLB
SCHEMBL11545196 0.75 KDM4E (0.60) GAAKMT2APOLBTSHRKDM4E
SCHEMBL19294671 0.75 HCAR3 (0.45) KMT2APKMALDH1A1L3MBTL1MAPT
SCHEMBL19294672 0.72 MAPK1 (0.39) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL16577827 0.70 SMN1; SMN2 (0.46) GAAKCNQ2KMT2APOLBTSHR
SCHEMBL16577844 0.69 ALDH1A1 (0.50) GAAKCNQ2KMT2APOLBTSHR
SCHEMBL16577842 0.69 ALDH1A1 (0.50) GAAKCNQ2KMT2APOLBTSHR

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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — 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 (2 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 GAA 848/4885KCNQ2 144/4885KMT2A 3471/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 GAA 2397/4885KCNQ2 139/4885KMT2A 3328/4885

“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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