SCHEMBL4945993

SCHEMBL4945993

CC1CCN(C(=N)NO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 2/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
CARM1 Q86X55 1/20 0.33

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
SCHEMBL4100923 0.79 GPR119 (0.34) MAPTLMNAGAA
SCHEMBL16791192 0.78 PHGDH (0.41) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL15588630 0.78 POLB (0.42) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL15588800 0.77 POLB (0.44) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL15588914 0.77 PHGDH (0.39) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL24052080 0.75 PHGDH (0.50) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL15588632 0.74 PHGDH (0.37) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL1149395 0.73 PHGDH (0.48) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL11654540 0.73 PHGDH (0.43) PHGDHMGLLALDH1A1NPC1POLB
SCHEMBL23752208 0.72 NCF1 (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100364531-C 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC (US) 2008-01-30 CN 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-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
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN 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 PHGDH 3796/4885MGLL 4861/4885ALDH1A1 155/4885
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 PHGDH 3961/4885MGLL 4851/4885ALDH1A1 205/4885

“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.