SCHEMBL16577892

SCHEMBL16577892

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37

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
SCHEMBL16577890 0.89 POLB (0.40) KDM4ESMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL16577895 0.84 PABPC1 (0.38) KDM4ESMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL16577891 0.80 ALDH1A1 (0.43) KDM4ENPC1RAB9ANPSR1KMT2A
SCHEMBL16577887 0.80 ALDH1A1 (0.49) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL19294670 0.80 KDM4E (0.43) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL10281398 0.79 ALDH1A1 (0.51) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL11542990 0.73 ERAP1 (0.37) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL16577844 0.70 ALDH1A1 (0.50) KDM4ENPC1NPSR1KMT2AMEN1
SCHEMBL16577831 0.69 KDM4E (0.60) KDM4ENPC1NPSR1KMT2AMEN1
SCHEMBL19294673 0.68 GAA (0.43) KDM4EKMT2AMEN1MAPTHPGD

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 KDM4E 3717/4885NPC1 72/4885SMN1; SMN2 3537/4885

“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.

Send feedback