SCHEMBL16577890

SCHEMBL16577890

O=C(O)c1cc(N[SH](=O)=O)c(Sc2ccccc2)c(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ GAA P10253 7/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ BRPF1 P55201 1/20 0.35

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
SCHEMBL16577892 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL16577857 0.78 ALDH1A1 (0.40) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19294673 0.78 GAA (0.43) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL16577831 0.77 KDM4E (0.60) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL10281400 0.75 KDM4E (0.61) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL11543455 0.74 KDM4E (0.60) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL16577856 0.74 MAPT (0.47) ALDH1A1KMT2AGAAMEN1HTT
SCHEMBL16577895 0.73 PABPC1 (0.38) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL16577858 0.71 CA2 (0.45) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL16577842 0.68 ALDH1A1 (0.50) POLBTSHRKDM4EALDH1A1HPGD

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 POLB 2683/4885TSHR 690/4885KDM4E 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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