SCHEMBL4948095

SCHEMBL4948095

Clc1ccsc1C1=NN(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
ATM Q13315 8/20 0.61
KDM4E B2RXH2 6/20 0.61
MAPT P10636 5/20 0.61
GLA P06280 5/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
MAPK1 P28482 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
LMNA P02545 1/20 0.52
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 3/20 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
SCHEMBL4946878 0.94 PRKCZ (0.56) MEN1KMT2AATMKDM4EMAPT
SCHEMBL4940926 0.86 PRKCZ (0.58) MEN1KMT2AATMKDM4EMAPT
SCHEMBL4940790 0.83 PRKCZ (0.56) CA1CA2PRKCZEGFRERBB2
SCHEMBL4949128 0.80 PTGS2 (0.59) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL4942223 0.78 ESD (0.55) MEN1KMT2AATMKDM4EMAPT
SCHEMBL31429980 0.77 MEN1 (0.57) MEN1KMT2AATMKDM4EMAPT
SCHEMBL4945056 0.77 PTGS2 (0.64) L3MBTL1CA1CA2PRKCZ
SCHEMBL28427927 0.76 ATM (1.00) MEN1KMT2AATMKDM4EMAPT
SCHEMBL23052404 0.75 MEN1 (0.73) MEN1KMT2AATMKDM4EMAPT
SCHEMBL395608 0.75 MEN1 (0.73) MEN1KMT2AATMKDM4EMAPT

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
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
EP-1406632-A2 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) 2004-04-14 EP 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
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO 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 MEN1 3494/4885KMT2A 4129/4885ATM 1072/4885
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 MEN1 3568/4885KMT2A 4312/4885ATM 1277/4885

“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.