SCHEMBL4949128

SCHEMBL4949128

O=C(O)c1ccc(N2N=C(c3sccc3Cl)CC2c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
PDE5A O76074 5/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PRKCZ Q05513 5/20 0.52
NR3C2 P08235 7/20 0.50
PGR P06401 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL4940926 0.90 PRKCZ (0.58) PTGS2MEN1KMT2AL3MBTL1PRKCZ
SCHEMBL4946878 0.86 PRKCZ (0.56) PTGS2MEN1KMT2AL3MBTL1PRKCZ
SCHEMBL4945056 0.82 PTGS2 (0.64) PTGS2PDE5AL3MBTL1PRKCZCA1
SCHEMBL4940790 0.81 PRKCZ (0.56) PTGS2PRKCZCA1CA2
SCHEMBL4948095 0.80 MEN1 (0.61) MEN1KMT2AL3MBTL1PRKCZCA1
SCHEMBL4946809 0.75 MAOB (0.59) PRKCZ
SCHEMBL4947365 0.75 PRKCZ (0.42) PTGS2PRKCZCA1CA2
SCHEMBL4942223 0.75 ESD (0.55) PTGS2MEN1KMT2AL3MBTL1PRKCZ
SCHEMBL12494514 0.74 PDE5A (1.00) PDE5APRKCZ
SCHEMBL31574476 0.72 PTGS2 (0.64) PTGS2PDE5AMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435750-B2 Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-10-14 US disclosed
US-7041685-B2 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-09 US disclosed
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 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-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 PTGS2 2033/4885PDE5A 2105/4885MEN1 3494/4885
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP4 PTGS2 2222/4885PDE5A 2503/4885MEN1 3568/4885

“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.