Sugi Predict

Sugi Predict / Compounds / SCHEMBL4942223

SCHEMBL4942223

SCHEMBL4942223

Clc1ccc(C2CC(c3sccc3Cl)=NN2c2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESD P10768 1/20 0.55
▸ PRKCZ Q05513 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ EGFR P00533 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL4946878 0.85 PRKCZ (0.56) PRKCZKDM4EL3MBTL1ALDH1A1CA1
SCHEMBL4940926 0.83 PRKCZ (0.58) PRKCZKDM4EL3MBTL1ALDH1A1CA1
SCHEMBL4940790 0.80 PRKCZ (0.56) PRKCZCA1CA2PTGS2EGFR
SCHEMBL4948095 0.78 MEN1 (0.61) PRKCZKDM4EL3MBTL1ALDH1A1CA1
SCHEMBL22795865 0.76 ESD (0.55) ESDPRKCZKDM4EL3MBTL1ALDH1A1
SCHEMBL4946809 0.76 MAOB (0.59) PRKCZKDM4EALDH1A1EGFRMAOB
SCHEMBL4949128 0.75 PTGS2 (0.59) PRKCZL3MBTL1CA1CA2PTGS2
SCHEMBL4945056 0.74 PTGS2 (0.64) PRKCZL3MBTL1CA1CA2PTGS2
SCHEMBL21078431 0.73 ESD (0.49) ESDPRKCZKDM4EL3MBTL1ALDH1A1
SCHEMBL6298090 0.72 ESD (0.61) ESDPRKCZKDM4EL3MBTL1ALDH1A1

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 ESD 2987/4885PRKCZ 3643/4885KDM4E 2469/4885
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 ESD 3123/4885PRKCZ 3698/4885KDM4E 2720/4885

“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.