SCHEMBL4586853

SCHEMBL4586853

N=C(NO)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ CYP2C19 P33261 1/20 0.56
▸ GRIN2B Q13224 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ MMP1 P03956 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP7 P09237 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP2 P08253 1/20 0.47

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
SCHEMBL12570019 0.87 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4594052 0.85 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.85 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.85 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8010989 0.84 SMN1; SMN2 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 — — EP disclosed
US-7379131-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2008-05-27 — — US disclosed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 — — US disclosed
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CYTOVIA, INC. (US) 2007-05-17 — — US disclosed
US-20070035682-A1 Liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-02-15 — — US disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 — — US disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 — — EP disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 — — WO disclosed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 — — 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-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP2 MEN1 2053/4885KMT2A 4450/4885NPSR1 4383/4885
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CASP1, CASP3, CASP2 MEN1 2419/4885KMT2A 4450/4885NPSR1 4296/4885

“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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